2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide

C18H16Cl2N4O2 — CID 135950012

IUPAC2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)Cc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C18H16Cl2N4O2/c1-24(10-17(25)22-15-5-3-2-4-13(15)20)9-16-21-14-7-6-11(19)8-12(14)18(26)23-16/h2-8H,9-10H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyRCOXWXIBJMPDTO-UHFFFAOYSA-N
MW391.26 g/mol
LogP3.30
Rot. Bonds5

About 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide

2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 135950012) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID135950012
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Name2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)Cc1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C18H16Cl2N4O2/c1-24(10-17(25)22-15-5-3-2-4-13(15)20)9-16-21-14-7-6-11(19)8-12(14)18(26)23-16/h2-8H,9-10H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyRCOXWXIBJMPDTO-UHFFFAOYSA-N
XLogP3.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
N-(2,4-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808404
N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135619644
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 135706234
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
N-(2,6-diethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135854716
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135462208
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 135600528
6-chloro-2-[(2-methoxy-N-methylanilino)methyl]-3H-quinazolin-4-one
CID 156870507
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide (CID 135950012) is 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide is CN(CC(=O)Nc1ccccc1Cl)Cc1nc2ccc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is RCOXWXIBJMPDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-24(10-17(25)22-15-5-3-2-4-13(15)20)9-16-21-14-7-6-11(19)8-12(14)18(26)23-16/h2-8H,9-10H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide?
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 391.26 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 135950012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).