6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid

C20H19N3O3 — CID 53469472

IUPAC6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
SMILESCc1ccc(-c2c3c(nc4c(C(=O)O)cnn24)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C20H19N3O3/c1-11-4-6-12(7-5-11)17-16-14(8-20(2,3)9-15(16)24)22-18-13(19(25)26)10-21-23(17)18/h4-7,10H,8-9H2,1-3H3,(H,25,26)
InChIKeyJDBFZWVJXISLNJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.56
Rot. Bonds2

About 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid

6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid (PubChem CID 53469472) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
PubChem CID53469472
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
SMILESCc1ccc(-c2c3c(nc4c(C(=O)O)cnn24)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C20H19N3O3/c1-11-4-6-12(7-5-11)17-16-14(8-20(2,3)9-15(16)24)22-18-13(19(25)26)10-21-23(17)18/h4-7,10H,8-9H2,1-3H3,(H,25,26)
InChIKeyJDBFZWVJXISLNJ-UHFFFAOYSA-N
XLogP3.56
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid 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 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
The IUPAC name of 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid (CID 53469472) is 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid is Cc1ccc(-c2c3c(nc4c(C(=O)O)cnn24)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
The InChIKey is JDBFZWVJXISLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-11-4-6-12(7-5-11)17-16-14(8-20(2,3)9-15(16)24)22-18-13(19(25)26)10-21-23(17)18/h4-7,10H,8-9H2,1-3H3,(H,25,26).
What are the key properties of 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid?
6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-9-(4-methylphenyl)-8-oxo-5,7-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid is sourced from PubChem (CID 53469472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).