BRN 4586768

3-(4-aminophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one

CAS: 83408-60-0

Molecular Formula	`C27H19ClN4O`
Molecular Weight	450.9 g/mol
LogP	5.3
Topological Polar Surface Area	71.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	450.12473
Heavy Atoms	33
Complexity	730.0

Chemical Identifiers

CAS Number	83408-60-0
SMILES	`C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)N`
InChIKey	`ROKRSNYWNPHSMV-UHFFFAOYSA-N`

📖 Product Overview

BRN 4586768 (CAS: 83408-60-0) is a chemical compound with molecular formula C27H19ClN4O and molecular weight 450.9 g/mol. Its IUPAC systematic name is 3-(4-aminophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one. LogP 5.3 Topological Polar Surface Area 71.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 450.12473 Heavy Atoms 33 Complexity 730.0 InChI Key: ROKRSNYWNPHSMV-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)N.

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