1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide

C23H23N5O4 — CID 56506640

IUPAC1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)n1
InChIInChI=1S/C23H23N5O4/c24-23(31)20-11-12-28(27-20)17-6-4-16(5-7-17)25-21(29)2-1-13-32-18-8-9-19-15(14-18)3-10-22(30)26-19/h4-9,11-12,14H,1-3,10,13H2,(H2,24,31)(H,25,29)(H,26,30)
InChIKeyWCHMJWCPTWAJBP-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.65
Rot. Bonds8

About 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide

1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide (PubChem CID 56506640) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
PubChem CID56506640
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)n1
InChIInChI=1S/C23H23N5O4/c24-23(31)20-11-12-28(27-20)17-6-4-16(5-7-17)25-21(29)2-1-13-32-18-8-9-19-15(14-18)3-10-22(30)26-19/h4-9,11-12,14H,1-3,10,13H2,(H2,24,31)(H,25,29)(H,26,30)
InChIKeyWCHMJWCPTWAJBP-UHFFFAOYSA-N
XLogP2.65
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55609152
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide
CID 55674201
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-(5-amino-2-methylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 120568933
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596379
1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
CID 56506902

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide (CID 56506640) is 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(NC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)n1.
What is the InChIKey of 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide?
The InChIKey is WCHMJWCPTWAJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c24-23(31)20-11-12-28(27-20)17-6-4-16(5-7-17)25-21(29)2-1-13-32-18-8-9-19-15(14-18)3-10-22(30)26-19/h4-9,11-12,14H,1-3,10,13H2,(H2,24,31)(H,25,29)(H,26,30).
What are the key properties of 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide?
1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56506640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).