6-(Benzyloxy)-4-(3-chloro-4-fluorophenylamino)-7-methoxy-quinazoline

CAS

913819-12-2

Catalog Number

ACM913819122

Category

Other Products

Molecular Weight

409.84

Molecular Formula

C₂₂H₁₇ClFN₃O₂

MSDS COA Spec Sheet

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Specification

Synonyms

6-(Benzyloxy)-4-(3-chloro-4-fluorophenylamino)-7-methoxy-quinazoline;N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(phenylmethoxy)-4-quinazolinamine

Density

1.362

What is the molecular formula of the compound?

The molecular formula of the compound is C22H17ClFN3O2.

What are the synonyms of the compound?

The synonyms of the compound are 913819-12-2, 6-(Benzyloxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(phenylmethoxy)quinazolin-4-amine, SCHEMBL17557985, DTXSID20694889, and more.

What is the molecular weight of the compound?

The molecular weight of the compound is 409.8 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-phenylmethoxyquinazolin-4-amine.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C22H17ClFN3O2/c1-28-20-11-19-16(10-21(20)29-12-14-5-3-2-4-6-14)22(26-13-25-19)27-15-7-8-18(24)17(23)9-15/h2-11,13H,12H2,1H3,(H,25,26,27).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCC4=CC=CC=C4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 5.6.

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 6 hydrogen bond acceptor counts.

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