8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C16H12ClN3O — CID 66505994

IUPAC8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESO=C1CC(c2ccc(Cl)cc2)Cc2c1cnc1ccnn21
InChIInChI=1S/C16H12ClN3O/c17-12-3-1-10(2-4-12)11-7-14-13(15(21)8-11)9-18-16-5-6-19-20(14)16/h1-6,9,11H,7-8H2
InChIKeyJKLYHYAMLZPEQW-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.30
Rot. Bonds1

About 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 66505994) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID66505994
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESO=C1CC(c2ccc(Cl)cc2)Cc2c1cnc1ccnn21
InChIInChI=1S/C16H12ClN3O/c17-12-3-1-10(2-4-12)11-7-14-13(15(21)8-11)9-18-16-5-6-19-20(14)16/h1-6,9,11H,7-8H2
InChIKeyJKLYHYAMLZPEQW-UHFFFAOYSA-N
XLogP3.30
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-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

8-(4-chlorophenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506064
(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
3-acetyl-8-(4-chlorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66506049
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506072
2-[(4-chlorophenyl)methylsulfanyl]-8-(4-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505925
3-(4-chlorophenyl)-8-(3,5-difluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17079206
8-(4-methylphenyl)-2-propyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506081
(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
CID 164625286
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 66506033

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 66505994) is 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is O=C1CC(c2ccc(Cl)cc2)Cc2c1cnc1ccnn21.
What is the InChIKey of 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is JKLYHYAMLZPEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-3-1-10(2-4-12)11-7-14-13(15(21)8-11)9-18-16-5-6-19-20(14)16/h1-6,9,11H,7-8H2.
What are the key properties of 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 297.75 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).