3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one

C19H18ClN3O — CID 822169

IUPAC3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(C)(C)C3
InChIInChI=1S/C19H18ClN3O/c1-11-17(12-4-6-13(20)7-5-12)18-21-10-14-15(23(18)22-11)8-19(2,3)9-16(14)24/h4-7,10H,8-9H2,1-3H3
InChIKeyVPJROGGKJGSCTQ-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.51
Rot. Bonds1

About 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one

3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (PubChem CID 822169) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
PubChem CID822169
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(C)(C)C3
InChIInChI=1S/C19H18ClN3O/c1-11-17(12-4-6-13(20)7-5-12)18-21-10-14-15(23(18)22-11)8-19(2,3)9-16(14)24/h4-7,10H,8-9H2,1-3H3
InChIKeyVPJROGGKJGSCTQ-UHFFFAOYSA-N
XLogP4.51
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (CID 822169) is 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(C)(C)C3.
What is the InChIKey of 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is VPJROGGKJGSCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-11-17(12-4-6-13(20)7-5-12)18-21-10-14-15(23(18)22-11)8-19(2,3)9-16(14)24/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 339.83 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 822169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).