N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide

C18H24N2O2 — CID 86983437

IUPACN-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H24N2O2/c1-3-5-8-13(4-2)11-20-18(22)15-12-19-16-10-7-6-9-14(16)17(15)21/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyICHUAQMAKCSEFZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.47
Rot. Bonds7

About N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide

N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 86983437) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID86983437
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C18H24N2O2/c1-3-5-8-13(4-2)11-20-18(22)15-12-19-16-10-7-6-9-14(16)17(15)21/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyICHUAQMAKCSEFZ-UHFFFAOYSA-N
XLogP3.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 95091675
N-(1-hydroxypentan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 115767429
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
N-(2-ethylhexyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 42941260
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 111451138
N-(2-ethylhexyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802179

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide (CID 86983437) is N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide is CCCCC(CC)CNC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ICHUAQMAKCSEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-5-8-13(4-2)11-20-18(22)15-12-19-16-10-7-6-9-14(16)17(15)21/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 86983437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).