N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C25H26N4O2 — CID 53132495

IUPACN-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NC5CCCCC5)cc43)c2=O)cc1C
InChIInChI=1S/C25H26N4O2/c1-15-8-10-19(12-16(15)2)29-25(31)21-14-26-22-11-9-17(13-20(22)23(21)28-29)24(30)27-18-6-4-3-5-7-18/h8-14,18,28H,3-7H2,1-2H3,(H,27,30)
InChIKeyAFSNSVYOYVQMIJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.55
Rot. Bonds3

About N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132495) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132495
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NC5CCCCC5)cc43)c2=O)cc1C
InChIInChI=1S/C25H26N4O2/c1-15-8-10-19(12-16(15)2)29-25(31)21-14-26-22-11-9-17(13-20(22)23(21)28-29)24(30)27-18-6-4-3-5-7-18/h8-14,18,28H,3-7H2,1-2H3,(H,27,30)
InChIKeyAFSNSVYOYVQMIJ-UHFFFAOYSA-N
XLogP4.55
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132415
2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132527
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132480
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
4-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carbonyl]amino]benzenesulfonic acid
CID 53132376
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
CID 22583363
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246252

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132495) is N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is Cc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)NC5CCCCC5)cc43)c2=O)cc1C.
What is the InChIKey of N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is AFSNSVYOYVQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15-8-10-19(12-16(15)2)29-25(31)21-14-26-22-11-9-17(13-20(22)23(21)28-29)24(30)27-18-6-4-3-5-7-18/h8-14,18,28H,3-7H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).