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

C25H23N3O3 — CID 17190733

IUPAC2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccc(OC)cc1)C3
InChIInChI=1S/C25H23N3O3/c1-30-15-21-24(17-6-4-3-5-7-17)25-26-14-20-22(28(25)27-21)12-18(13-23(20)29)16-8-10-19(31-2)11-9-16/h3-11,14,18H,12-13,15H2,1-2H3
InChIKeyKJGQMDZNOCFCSF-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.46
Rot. Bonds5

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

2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 17190733) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID17190733
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccc(OC)cc1)C3
InChIInChI=1S/C25H23N3O3/c1-30-15-21-24(17-6-4-3-5-7-17)25-26-14-20-22(28(25)27-21)12-18(13-23(20)29)16-8-10-19(31-2)11-9-16/h3-11,14,18H,12-13,15H2,1-2H3
InChIKeyKJGQMDZNOCFCSF-UHFFFAOYSA-N
XLogP4.46
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 17190733) is 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccc(OC)cc1)C3.
What is the InChIKey of 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is KJGQMDZNOCFCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-15-21-24(17-6-4-3-5-7-17)25-26-14-20-22(28(25)27-21)12-18(13-23(20)29)16-8-10-19(31-2)11-9-16/h3-11,14,18H,12-13,15H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 413.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 17190733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).