6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one

C21H19ClN4O — CID 165414865

IUPAC6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one
SMILESCC1=CC(Cl)C=C2C(=O)N=C(CCc3nc(-c4ccccc4)cn3C)N=C12
InChIInChI=1S/C21H19ClN4O/c1-13-10-15(22)11-16-20(13)24-18(25-21(16)27)8-9-19-23-17(12-26(19)2)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9H2,1-2H3
InChIKeyOLPCYGQBEKZQNS-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.89
Rot. Bonds4

About 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one

6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one (PubChem CID 165414865) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one
PubChem CID165414865
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one
SMILESCC1=CC(Cl)C=C2C(=O)N=C(CCc3nc(-c4ccccc4)cn3C)N=C12
InChIInChI=1S/C21H19ClN4O/c1-13-10-15(22)11-16-20(13)24-18(25-21(16)27)8-9-19-23-17(12-26(19)2)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9H2,1-2H3
InChIKeyOLPCYGQBEKZQNS-UHFFFAOYSA-N
XLogP3.89
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one?
The IUPAC name of 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one (CID 165414865) is 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one?
The canonical SMILES for 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one is CC1=CC(Cl)C=C2C(=O)N=C(CCc3nc(-c4ccccc4)cn3C)N=C12.
What is the InChIKey of 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one?
The InChIKey is OLPCYGQBEKZQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-13-10-15(22)11-16-20(13)24-18(25-21(16)27)8-9-19-23-17(12-26(19)2)14-6-4-3-5-7-14/h3-7,10-12,15H,8-9H2,1-2H3.
What are the key properties of 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one?
6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one has a molecular weight of 378.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6H-quinazolin-4-one is sourced from PubChem (CID 165414865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).