9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide

C24H22N4O3 — CID 135656548

IUPAC9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccc(O)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-14-5-9-16(10-6-14)26-24(31)18-13-25-28-22(15-7-11-17(29)12-8-15)21-19(27-23(18)28)3-2-4-20(21)30/h5-13,22,27,29H,2-4H2,1H3,(H,26,31)
InChIKeyFLKPLNDSBKZJOB-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.17
Rot. Bonds3

About 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide

9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 135656548) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound Name9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID135656548
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccc(O)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-14-5-9-16(10-6-14)26-24(31)18-13-25-28-22(15-7-11-17(29)12-8-15)21-19(27-23(18)28)3-2-4-20(21)30/h5-13,22,27,29H,2-4H2,1H3,(H,26,31)
InChIKeyFLKPLNDSBKZJOB-UHFFFAOYSA-N
XLogP4.17
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[[2-ethyl-11-[(4-methoxyphenyl)methyl]-8-oxo-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-triene-4-carbonyl]amino]benzoate
CID 16029698
7-(4-Methoxyphenyl)-5-methyl-N3,N6-diphenyl-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410416
7-(2-Fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 135410480
7-(4-Fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 135410481
7-(4-Methoxyphenyl)-5-(4-methylphenyl)-N-phenyl-4H,7H-pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 135546935
Ethyl 4-({[4-ethyl-7-(4-methoxybenzyl)-9-oxo-4,5,6,7,8,9-hexahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-3-yl]carbonyl}amino)benzoate
CID 16029702
N-(4-fluorophenyl)-9-(4-methoxyphenyl)-6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656589
4-{3-[(4-Fluorophenyl)carbamoyl]-8-oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazolin-9-yl}benzoic acid
CID 135656670
(7S)-7-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136915807
[4-(4-Fluorophenyl)piperazin-1-yl]-[7-(3-hydroxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135453446
N3-(4-Fluorophenyl)-N6,7-bis(4-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135551166
N-(4-fluorophenyl)-5-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-7-(4-hydroxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135652478

Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide (CID 135656548) is 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide is Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccc(O)cc2)cc1.
What is the InChIKey of 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is FLKPLNDSBKZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-5-9-16(10-6-14)26-24(31)18-13-25-28-22(15-7-11-17(29)12-8-15)21-19(27-23(18)28)3-2-4-20(21)30/h5-13,22,27,29H,2-4H2,1H3,(H,26,31).
What are the key properties of 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 135656548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).