N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

C23H18ClN3O2 — CID 46346696

IUPACN-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-11-12-19(18(24)13-15)25-21(28)14-27-20-10-6-5-9-17(20)22(26-23(27)29)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWHICJFZWWVMJFW-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.66
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (PubChem CID 46346696) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
PubChem CID46346696
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C23H18ClN3O2/c1-15-11-12-19(18(24)13-15)25-21(28)14-27-20-10-6-5-9-17(20)22(26-23(27)29)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWHICJFZWWVMJFW-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-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

N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46506830
N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346770
2-(3-benzyl-4-oxopyrimido[5,4-b]indol-5-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 53025985
N-(2-chloro-4-methylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368511
N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide
CID 50834598
N-(2-chloro-4-methylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522523
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
N-(2-chloro-4-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502262

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (CID 46346696) is N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The InChIKey is WHICJFZWWVMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-11-12-19(18(24)13-15)25-21(28)14-27-20-10-6-5-9-17(20)22(26-23(27)29)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is sourced from PubChem (CID 46346696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).