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

C18H16ClN3O — CID 3160991

IUPAC3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(C)C3
InChIInChI=1S/C18H16ClN3O/c1-10-7-15-14(16(23)8-10)9-20-18-17(11(2)21-22(15)18)12-3-5-13(19)6-4-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVOFGTLFGJBGVST-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.12
Rot. Bonds1

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

3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 3160991) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID3160991
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(C)C3
InChIInChI=1S/C18H16ClN3O/c1-10-7-15-14(16(23)8-10)9-20-18-17(11(2)21-22(15)18)12-3-5-13(19)6-4-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVOFGTLFGJBGVST-UHFFFAOYSA-N
XLogP4.12
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 3160991) is 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(C)C3.
What is the InChIKey of 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is VOFGTLFGJBGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-10-7-15-14(16(23)8-10)9-20-18-17(11(2)21-22(15)18)12-3-5-13(19)6-4-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 325.80 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 3160991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).