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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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).