N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C24H17ClN4O2 — CID 86890740

IUPACN-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C24H17ClN4O2/c25-19-11-10-18(13-26)22(12-19)29(14-17-6-2-1-3-7-17)23(30)15-28-16-27-21-9-5-4-8-20(21)24(28)31/h1-12,16H,14-15H2
InChIKeyHKXJRUKCVQLSDN-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.15
Rot. Bonds5

About N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 86890740) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID86890740
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC NameN-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESN#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C24H17ClN4O2/c25-19-11-10-18(13-26)22(12-19)29(14-17-6-2-1-3-7-17)23(30)15-28-16-27-21-9-5-4-8-20(21)24(28)31/h1-12,16H,14-15H2
InChIKeyHKXJRUKCVQLSDN-UHFFFAOYSA-N
XLogP4.15
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)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

2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 30835547
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 47047399
N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 60513726
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 3242457
3-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642933
(4-chloro-2-methylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 4784076
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 17492289

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 86890740) is N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is HKXJRUKCVQLSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-19-11-10-18(13-26)22(12-19)29(14-17-6-2-1-3-7-17)23(30)15-28-16-27-21-9-5-4-8-20(21)24(28)31/h1-12,16H,14-15H2.
What are the key properties of N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 428.88 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 86890740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).