3-(4-Chlorophenyl)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]quinazolin-4-one

CAS

95833-44-6

Catalog Number

ACM95833446

Category

Other Products

Molecular Weight

435.903 g/mol

Molecular Formula

C₂₄H₂₂ClN₃O₃

MSDS COA Spec Sheet

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Specification

Synonyms

CID63950, LS-140601, 4(3H)-Quinazolinone, 3-(p-chlorophenyl)-2-((veratrylamino)methyl)-, 3-(p-Chlorophenyl)-2-(((3,4-dimethoxybenzyl)amino)methyl)-4(3H)-quinazolinone, 95833-44-6

IUPAC Name

3-(4-chlorophenyl)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]quinazolin-4-one

Canonical SMILES

COC1=C(C=C(C=C1)CNCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)OC

InChI Key

KNQJIZGSGCGFTE-UHFFFAOYSA-N

Boiling Point

601.1ºC at 760 mmHg

Flash Point

317.3ºC

Density

1.27g/cm³

Exact Mass

435.13500

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C24H22ClN3O3.

What are the synonyms of the compound?

The synonyms of the compound are:
4(3H)-Quinazolinone, 3-(p-chlorophenyl)-2-((veratrylamino)methyl)- 95833-44-6
3-(p-Chlorophenyl)-2-(((3,4-dimethoxybenzyl)amino)methyl)-4(3H)-quinazolinone
DTXSID60241977
3-(4-chlorophenyl)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]quinazolin-4-one

What is the molecular weight of the compound?

The molecular weight of the compound is 435.9 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(4-chlorophenyl)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]quinazolin-4-one.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C24H22ClN3O3/c1-30-21-12-7-16(13-22(21)31-2)14-26-15-23-27-20-6-4-3-5-19(20)24(29)28(23)18-10-8-17(25)9-11-18/h3-13,26H,14-15H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is KNQJIZGSGCGFTE-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC1=C(C=C(C=C1)CNCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)OC.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 4.1.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

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