2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one

CAS: 80930-91-2

Molecular Formula	`C22H24IN3O`
Molecular Weight	473.3 g/mol
LogP	4.4
Topological Polar Surface Area	35.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	473.0964
Heavy Atoms	27
Complexity	558.0

Chemical Identifiers

CAS Number	80930-91-2
SMILES	`CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)I)CN4CCCCCC4`
InChIKey	`CUSBTMBNTIPIBQ-UHFFFAOYSA-N`

📖 Product Overview

2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one (CAS: 80930-91-2) is a chemical compound with molecular formula C22H24IN3O and molecular weight 473.3 g/mol. Its IUPAC systematic name is 2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one. LogP 4.4 Topological Polar Surface Area 35.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 473.0964 Heavy Atoms 27 Complexity 558.0 InChI Key: CUSBTMBNTIPIBQ-UHFFFAOYSA-N. SMILES: CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)I)CN4CCCCCC4.

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