N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide

C18H20N2O2 — CID 17492319

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H20N2O2/c21-17(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)20-18(15)22/h4-6,8-9,12H,1-3,7,10-11H2,(H,19,21)(H,20,22)
InChIKeyPKQPZLJUFMHLNX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 17492319) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID17492319
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H20N2O2/c21-17(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)20-18(15)22/h4-6,8-9,12H,1-3,7,10-11H2,(H,19,21)(H,20,22)
InChIKeyPKQPZLJUFMHLNX-UHFFFAOYSA-N
XLogP3.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
2-[(2-cyanoacetyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 168520690
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69441277
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 95708416
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
CID 63116817
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831989

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide (CID 17492319) is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(NCCC1=CCCCC1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PKQPZLJUFMHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(19-11-10-13-6-2-1-3-7-13)15-12-14-8-4-5-9-16(14)20-18(15)22/h4-6,8-9,12H,1-3,7,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17492319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).