N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide

C26H26N4O2 — CID 135656714

IUPACN-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccccc2C)cc1C
InChIInChI=1S/C26H26N4O2/c1-15-11-12-18(13-17(15)3)28-26(32)20-14-27-30-24(19-8-5-4-7-16(19)2)23-21(29-25(20)30)9-6-10-22(23)31/h4-5,7-8,11-14,24,29H,6,9-10H2,1-3H3,(H,28,32)
InChIKeyIQQYHGCCJXZQCS-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.08
Rot. Bonds3

About N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide

N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 135656714) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID135656714
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccccc2C)cc1C
InChIInChI=1S/C26H26N4O2/c1-15-11-12-18(13-17(15)3)28-26(32)20-14-27-30-24(19-8-5-4-7-16(19)2)23-21(29-25(20)30)9-6-10-22(23)31/h4-5,7-8,11-14,24,29H,6,9-10H2,1-3H3,(H,28,32)
InChIKeyIQQYHGCCJXZQCS-UHFFFAOYSA-N
XLogP5.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656673
(9R)-N-(3,4-dimethylphenyl)-8-oxo-9-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136777315
(9R)-N-(3,4-dimethylphenyl)-9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136848643
9-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656715
9-(4-bromophenyl)-N-(3,4-dimethylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656718
(9R)-9-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136868214
(9S)-9-(2-methoxyphenyl)-8-oxo-N-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136868166
N-(2-methylphenyl)-8-oxo-9-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656580
9-(4-fluorophenyl)-N-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135969909
(9R)-9-(3-hydroxyphenyl)-N-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136777343
9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656548
9-(4-hydroxyphenyl)-8-oxo-N-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656677

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide (CID 135656714) is N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-9-(2-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)C3c2ccccc2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is IQQYHGCCJXZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-15-11-12-18(13-17(15)3)28-26(32)20-14-27-30-24(19-8-5-4-7-16(19)2)23-21(29-25(20)30)9-6-10-22(23)31/h4-5,7-8,11-14,24,29H,6,9-10H2,1-3H3,(H,28,32).
What are the key properties of N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-9-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 135656714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).