N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide

C23H26N2O3 — CID 11639466

IUPACN-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-3-4-7-14-25-16-20(22(26)19-8-5-6-9-21(19)25)23(27)24-15-17-10-12-18(28-2)13-11-17/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3,(H,24,27)
InChIKeyWMZZLLUSLFAGGN-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.13
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide

N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 11639466) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
PubChem CID11639466
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-3-4-7-14-25-16-20(22(26)19-8-5-6-9-21(19)25)23(27)24-15-17-10-12-18(28-2)13-11-17/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3,(H,24,27)
InChIKeyWMZZLLUSLFAGGN-UHFFFAOYSA-N
XLogP4.13
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 71019902
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 46834468
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15996697
N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834195
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
N-benzyl-1-butyl-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxamide
CID 57343353

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide (CID 11639466) is N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is WMZZLLUSLFAGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-4-7-14-25-16-20(22(26)19-8-5-6-9-21(19)25)23(27)24-15-17-10-12-18(28-2)13-11-17/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 11639466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).