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

C15H12ClN3O — CID 62101578

IUPAC3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
SMILESNc1cc(Cl)ccc1Cn1cnc2ccccc2c1=O
InChIInChI=1S/C15H12ClN3O/c16-11-6-5-10(13(17)7-11)8-19-9-18-14-4-2-1-3-12(14)15(19)20/h1-7,9H,8,17H2
InChIKeyXGXSUGIYSCUUDP-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.68
Rot. Bonds2

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

3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one (PubChem CID 62101578) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
PubChem CID62101578
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
SMILESNc1cc(Cl)ccc1Cn1cnc2ccccc2c1=O
InChIInChI=1S/C15H12ClN3O/c16-11-6-5-10(13(17)7-11)8-19-9-18-14-4-2-1-3-12(14)15(19)20/h1-7,9H,8,17H2
InChIKeyXGXSUGIYSCUUDP-UHFFFAOYSA-N
XLogP2.68
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(2-amino-4-chlorophenyl)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

3-[(2-amino-4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 55036937
5-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]aniline
CID 62352131
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]quinazolin-4-one
CID 47037876
3-[(6-amino-3-chloro-2-pyridinyl)methyl]quinazolin-4-one
CID 62886832
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
CID 141114894
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
CID 9369350

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one (CID 62101578) is 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one is Nc1cc(Cl)ccc1Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one?
The InChIKey is XGXSUGIYSCUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-11-6-5-10(13(17)7-11)8-19-9-18-14-4-2-1-3-12(14)15(19)20/h1-7,9H,8,17H2.
What are the key properties of 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one?
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one has a molecular weight of 285.73 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 62101578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).