N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide

C22H24N2O3 — CID 11523434

IUPACN-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-4-7-14-24-15-19(21(25)18-8-5-6-9-20(18)24)22(26)23-16-10-12-17(27-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,23,26)
InChIKeyKEMIWJVMJNMWRE-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.45
Rot. Bonds7

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

N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 11523434) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
PubChem CID11523434
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-4-7-14-24-15-19(21(25)18-8-5-6-9-20(18)24)22(26)23-16-10-12-17(27-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,23,26)
InChIKeyKEMIWJVMJNMWRE-UHFFFAOYSA-N
XLogP4.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.45
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)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
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-tert-butylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46830422
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 30131954
1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 131953863
1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 46830417
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide (CID 11523434) is N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2ccccc21.
What is the InChIKey of N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is KEMIWJVMJNMWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-4-7-14-24-15-19(21(25)18-8-5-6-9-20(18)24)22(26)23-16-10-12-17(27-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide?
N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 11523434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).