N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

C23H26N2O3 — CID 54698348

IUPACN-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)c2)c(O)c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-4-5-8-11-25-19-10-7-6-9-18(19)21(26)20(23(25)28)22(27)24-17-13-15(2)12-16(3)14-17/h6-7,9-10,12-14,26H,4-5,8,11H2,1-3H3,(H,24,27)
InChIKeyQLWFNEYUZZTUGS-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.77
Rot. Bonds6

About N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54698348) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54698348
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)c2)c(O)c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-4-5-8-11-25-19-10-7-6-9-18(19)21(26)20(23(25)28)22(27)24-17-13-15(2)12-16(3)14-17/h6-7,9-10,12-14,26H,4-5,8,11H2,1-3H3,(H,24,27)
InChIKeyQLWFNEYUZZTUGS-UHFFFAOYSA-N
XLogP4.77
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679528
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
2-butyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984445
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
2-benzyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984444
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (CID 54698348) is N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)c2)c(O)c2ccccc21.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is QLWFNEYUZZTUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-5-8-11-25-19-10-7-6-9-18(19)21(26)20(23(25)28)22(27)24-17-13-15(2)12-16(3)14-17/h6-7,9-10,12-14,26H,4-5,8,11H2,1-3H3,(H,24,27).
What are the key properties of N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54698348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).