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

C24H20ClN3O2 — CID 4970099

IUPAC3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccccc1C1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1
InChIInChI=1S/C24H20ClN3O2/c1-14-23(15-7-9-17(25)10-8-15)24-26-13-19-20(28(24)27-14)11-16(12-21(19)29)18-5-3-4-6-22(18)30-2/h3-10,13,16H,11-12H2,1-2H3
InChIKeyLSRKKEMBOBZXMZ-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.28
Rot. Bonds3

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

3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 4970099) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID4970099
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccccc1C1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1
InChIInChI=1S/C24H20ClN3O2/c1-14-23(15-7-9-17(25)10-8-15)24-26-13-19-20(28(24)27-14)11-16(12-21(19)29)18-5-3-4-6-22(18)30-2/h3-10,13,16H,11-12H2,1-2H3
InChIKeyLSRKKEMBOBZXMZ-UHFFFAOYSA-N
XLogP5.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.28
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-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 4970099) is 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is COc1ccccc1C1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1.
What is the InChIKey of 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is LSRKKEMBOBZXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-14-23(15-7-9-17(25)10-8-15)24-26-13-19-20(28(24)27-14)11-16(12-21(19)29)18-5-3-4-6-22(18)30-2/h3-10,13,16H,11-12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 417.90 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 4970099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).