8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide

C19H26N2O2 — CID 10734056

IUPAC8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C19H26N2O2/c1-3-4-5-6-7-8-12-20-19(23)16-13-21-17-14(2)10-9-11-15(17)18(16)22/h9-11,13H,3-8,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIEPRKQILTUHPNE-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.93
Rot. Bonds8

About 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide

8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 10734056) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID10734056
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C19H26N2O2/c1-3-4-5-6-7-8-12-20-19(23)16-13-21-17-14(2)10-9-11-15(17)18(16)22/h9-11,13H,3-8,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyIEPRKQILTUHPNE-UHFFFAOYSA-N
XLogP3.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxyquinoline
CID 69141
2-Heptyl-4-hydroxyquinoline
CID 164974
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
2-Undecyl-4(1H)-quinolone
CID 10063343
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
2-N-Nonyl-4-Quinolone
CID 9856730
Buchapine
CID 461150
2-Heptyl-3-methyl-1H-quinolin-4-one
CID 599666
N-(2-Acetylphenyl)acetamide
CID 21306
4-Hydroxy-6-methylquinoline
CID 256080
6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 11521736
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 11673471

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide (CID 10734056) is 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide is CCCCCCCCNC(=O)c1c[nH]c2c(C)cccc2c1=O.
What is the InChIKey of 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is IEPRKQILTUHPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-5-6-7-8-12-20-19(23)16-13-21-17-14(2)10-9-11-15(17)18(16)22/h9-11,13H,3-8,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-octyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 10734056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).