3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C21H16ClN3O2 — CID 666934

IUPAC3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(c1ccco1)C3
InChIInChI=1S/C21H16ClN3O2/c1-12-20(13-4-6-15(22)7-5-13)21-23-11-16-17(25(21)24-12)9-14(10-18(16)26)19-3-2-8-27-19/h2-8,11,14H,9-10H2,1H3
InChIKeyZSIJRWQPTAZBHQ-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.86
Rot. Bonds2

About 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 666934) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID666934
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(c1ccco1)C3
InChIInChI=1S/C21H16ClN3O2/c1-12-20(13-4-6-15(22)7-5-13)21-23-11-16-17(25(21)24-12)9-14(10-18(16)26)19-3-2-8-27-19/h2-8,11,14H,9-10H2,1H3
InChIKeyZSIJRWQPTAZBHQ-UHFFFAOYSA-N
XLogP4.86
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
CID 664438
8-(2-furyl)-2-methyl-3-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 667097
3-(4-Chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 7711493
3-(4-methoxyphenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16457439
3-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 4901770
7-Cyclohexyl-6-[4-(3-furyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 10000277
7-Cyclohexyl-6-(3-furyl)-2-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958182
2-(2,3-dihydro-1H-indol-1-yl)-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 3664262
1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2979911
6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 3708524
3-(4-methoxyphenyl)-2-methyl-8-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 16417267
3-(4-Chlorophenyl)-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1250574

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 666934) is 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(c1ccco1)C3.
What is the InChIKey of 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is ZSIJRWQPTAZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-12-20(13-4-6-15(22)7-5-13)21-23-11-16-17(25(21)24-12)9-14(10-18(16)26)19-3-2-8-27-19/h2-8,11,14H,9-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 377.83 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 666934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).