N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C25H30N2O4 — CID 54681664

IUPACN-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C25H30N2O4/c1-3-5-6-7-10-17-27-21-12-9-8-11-20(21)23(28)22(25(27)30)24(29)26-18-13-15-19(16-14-18)31-4-2/h8-9,11-16,28H,3-7,10,17H2,1-2H3,(H,26,29)
InChIKeyCFMAPSNWUVLVAJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.33
Rot. Bonds10

About N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54681664) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54681664
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C25H30N2O4/c1-3-5-6-7-10-17-27-21-12-9-8-11-20(21)23(28)22(25(27)30)24(29)26-18-13-15-19(16-14-18)31-4-2/h8-9,11-16,28H,3-7,10,17H2,1-2H3,(H,26,29)
InChIKeyCFMAPSNWUVLVAJ-UHFFFAOYSA-N
XLogP5.33
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54677084
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
2-butyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984445
2-benzyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984444
1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 89188317

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54681664) is N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCCCCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21.
What is the InChIKey of N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is CFMAPSNWUVLVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-3-5-6-7-10-17-27-21-12-9-8-11-20(21)23(28)22(25(27)30)24(29)26-18-13-15-19(16-14-18)31-4-2/h8-9,11-16,28H,3-7,10,17H2,1-2H3,(H,26,29).
What are the key properties of N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54681664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).