3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one

C22H18ClN3O — CID 577513

IUPAC3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one
SMILESCc1ccccc1NCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c1-15-6-2-4-8-19(15)24-14-21-25-20-9-5-3-7-18(20)22(27)26(21)17-12-10-16(23)11-13-17/h2-13,24H,14H2,1H3
InChIKeyIAAGKVIXAPICGE-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.96
Rot. Bonds4

About 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one

3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one (PubChem CID 577513) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one
PubChem CID577513
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one
SMILESCc1ccccc1NCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c1-15-6-2-4-8-19(15)24-14-21-25-20-9-5-3-7-18(20)22(27)26(21)17-12-10-16(23)11-13-17/h2-13,24H,14H2,1H3
InChIKeyIAAGKVIXAPICGE-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one 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-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-3-(4-methylphenyl)quinazolin-4-one
CID 10599987
2-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-3-(2-methylphenyl)quinazolin-4-one
CID 10718730
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(chloromethyl)-3-(4-fluoro-3-methylphenyl)quinazolin-4-one
CID 62812753
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[amino-(2-methylphenyl)methyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 22216138
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one (CID 577513) is 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one is Cc1ccccc1NCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one?
The InChIKey is IAAGKVIXAPICGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-15-6-2-4-8-19(15)24-14-21-25-20-9-5-3-7-18(20)22(27)26(21)17-12-10-16(23)11-13-17/h2-13,24H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one?
3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one has a molecular weight of 375.86 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(2-methylanilino)methyl]quinazolin-4-one is sourced from PubChem (CID 577513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).