9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile

C19H18N4O2 — CID 135658732

IUPAC9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1C2c1cccc(O)c1
InChIInChI=1S/C19H18N4O2/c1-19(2)7-14-16(15(25)8-19)17(11-4-3-5-13(24)6-11)23-18(22-14)12(9-20)10-21-23/h3-6,10,17,22,24H,7-8H2,1-2H3
InChIKeyLTALOQMADSRXTF-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.12
Rot. Bonds1

About 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile

9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile (PubChem CID 135658732) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile.

Molecular Properties

Compound Name9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
PubChem CID135658732
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1C2c1cccc(O)c1
InChIInChI=1S/C19H18N4O2/c1-19(2)7-14-16(15(25)8-19)17(11-4-3-5-13(24)6-11)23-18(22-14)12(9-20)10-21-23/h3-6,10,17,22,24H,7-8H2,1-2H3
InChIKeyLTALOQMADSRXTF-UHFFFAOYSA-N
XLogP3.12
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6,6-dimethyl-8-oxo-9-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 135658351
9-(2,4-dimethoxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 135658810
9-(3-hydroxyphenyl)-6,6-dimethyl-2-pyridin-3-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135692911
9-(3-hydroxyphenyl)-6,6-dimethyl-2-naphthalen-1-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135718872
(4S)-4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 702731
6,6-dimethyl-8-oxo-9-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135658721
(9R)-6,6-dimethyl-N-(2-methylphenyl)-9-(3-methylphenyl)-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136777332
(9R)-6,6-dimethyl-8-oxo-N,9-diphenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136868032
methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
CID 135632986
9-(3,4-dimethoxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 135658792
2-(4-hydroxyphenyl)-6,6-dimethyl-9-(3-methylphenyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135699921
2-(3-hydroxyphenyl)-6,6-dimethyl-9-pyridin-3-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135582159

Frequently Asked Questions

What is the IUPAC name of 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile?
The IUPAC name of 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile (CID 135658732) is 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile.
What is the SMILES notation for 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile?
The canonical SMILES for 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)Nc1c(C#N)cnn1C2c1cccc(O)c1.
What is the InChIKey of 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile?
The InChIKey is LTALOQMADSRXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-19(2)7-14-16(15(25)8-19)17(11-4-3-5-13(24)6-11)23-18(22-14)12(9-20)10-21-23/h3-6,10,17,22,24H,7-8H2,1-2H3.
What are the key properties of 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile?
9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile is sourced from PubChem (CID 135658732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).