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

C22H22N4O3 — CID 53132461

IUPACN-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCCCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(OC)cc4)[nH]c3c2c1
InChIInChI=1S/C22H22N4O3/c1-3-4-11-23-21(27)14-5-10-19-17(12-14)20-18(13-24-19)22(28)26(25-20)15-6-8-16(29-2)9-7-15/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,23,27)
InChIKeyUYWWSWKTAZCRAM-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.41
Rot. Bonds6

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

N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 53132461) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID53132461
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCCCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(OC)cc4)[nH]c3c2c1
InChIInChI=1S/C22H22N4O3/c1-3-4-11-23-21(27)14-5-10-19-17(12-14)20-18(13-24-19)22(28)26(25-20)15-6-8-16(29-2)9-7-15/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,23,27)
InChIKeyUYWWSWKTAZCRAM-UHFFFAOYSA-N
XLogP3.41
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132457
2-(4-chlorophenyl)-3-oxo-N-propyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132534
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132415
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132424
N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132495
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 53132461) is N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is CCCCNC(=O)c1ccc2ncc3c(=O)n(-c4ccc(OC)cc4)[nH]c3c2c1.
What is the InChIKey of N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is UYWWSWKTAZCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-4-11-23-21(27)14-5-10-19-17(12-14)20-18(13-24-19)22(28)26(25-20)15-6-8-16(29-2)9-7-15/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,23,27).
What are the key properties of N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 53132461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).