7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C21H24ClN3O — CID 663701

IUPAC7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(Cl)cc2)CC3=O)C1
InChIInChI=1S/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-18-19(24-21)8-16(9-20(18)26)15-3-5-17(22)6-4-15/h3-6,10,13-14,16H,7-9,11-12H2,1-2H3
InChIKeyROWKXAAHFUHOGZ-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.53
Rot. Bonds2

About 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 663701) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID663701
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(Cl)cc2)CC3=O)C1
InChIInChI=1S/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-18-19(24-21)8-16(9-20(18)26)15-3-5-17(22)6-4-15/h3-6,10,13-14,16H,7-9,11-12H2,1-2H3
InChIKeyROWKXAAHFUHOGZ-UHFFFAOYSA-N
XLogP4.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-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-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565
7-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665531
7-(3-chlorophenyl)-2-(morpholin-4-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665689
7-(3-chlorophenyl)-2-(4-phenyl-1-piperazinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 665827
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-phenylpropanamide
CID 683031
2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
CID 878804
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-(4-methylphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 4563710
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 4602970
2-(4-benzylpiperazin-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 666551
2-((3-Chlorophenyl)amino)-7,8-dihydroquinazolin-5(6H)-one
CID 57388817

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 663701) is 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(Cl)cc2)CC3=O)C1.
What is the InChIKey of 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ROWKXAAHFUHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-18-19(24-21)8-16(9-20(18)26)15-3-5-17(22)6-4-15/h3-6,10,13-14,16H,7-9,11-12H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 369.90 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 663701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).