8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide

C19H26N2O2 — CID 166326762

IUPAC8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCC(C)NC(=O)c1c[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C19H26N2O2/c1-4-5-6-7-10-14(3)21-19(23)16-12-20-17-13(2)9-8-11-15(17)18(16)22/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVNKNLGSDZMPMMK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.93
Rot. Bonds7

About 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide

8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 166326762) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID166326762
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCC(C)NC(=O)c1c[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C19H26N2O2/c1-4-5-6-7-10-14(3)21-19(23)16-12-20-17-13(2)9-8-11-15(17)18(16)22/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVNKNLGSDZMPMMK-UHFFFAOYSA-N
XLogP3.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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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Launch Full Analysis

Related Compounds

2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 176514152
5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
N-heptadecan-9-yl-2-methylbenzamide
CID 3929540
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide
CID 91636835
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide (CID 166326762) is 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide is CCCCCCC(C)NC(=O)c1c[nH]c2c(C)cccc2c1=O.
What is the InChIKey of 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VNKNLGSDZMPMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-5-6-7-10-14(3)21-19(23)16-12-20-17-13(2)9-8-11-15(17)18(16)22/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide?
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 166326762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).