N-(4-ethylcyclohexyl)quinoline-5-carboxamide

C18H22N2O — CID 145451400

IUPACN-(4-ethylcyclohexyl)quinoline-5-carboxamide
SMILESCCC1CCC(NC(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C18H22N2O/c1-2-13-8-10-14(11-9-13)20-18(21)16-5-3-7-17-15(16)6-4-12-19-17/h3-7,12-14H,2,8-11H2,1H3,(H,20,21)
InChIKeyUHTXANBQABDCNT-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.93
Rot. Bonds3

About N-(4-ethylcyclohexyl)quinoline-5-carboxamide

N-(4-ethylcyclohexyl)quinoline-5-carboxamide (PubChem CID 145451400) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)quinoline-5-carboxamide
PubChem CID145451400
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(4-ethylcyclohexyl)quinoline-5-carboxamide
SMILESCCC1CCC(NC(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C18H22N2O/c1-2-13-8-10-14(11-9-13)20-18(21)16-5-3-7-17-15(16)6-4-12-19-17/h3-7,12-14H,2,8-11H2,1H3,(H,20,21)
InChIKeyUHTXANBQABDCNT-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667
N-[4-[2-[(3aR,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138670641
N-[4-[2-[(3aS)-2-phenyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 145451582
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
N-[4-[2-(7-cyano-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 11576059
N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]quinoline-5-carboxamide
CID 75166399
N-[4-[2-(2-methoxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671303
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[4-[2-(2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)ethyl]cyclohexyl]quinoline-5-carboxamide
CID 138671048
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)quinoline-5-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)quinoline-5-carboxamide (CID 145451400) is N-(4-ethylcyclohexyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)quinoline-5-carboxamide is CCC1CCC(NC(=O)c2cccc3ncccc23)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)quinoline-5-carboxamide?
The InChIKey is UHTXANBQABDCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-13-8-10-14(11-9-13)20-18(21)16-5-3-7-17-15(16)6-4-12-19-17/h3-7,12-14H,2,8-11H2,1H3,(H,20,21).
What are the key properties of N-(4-ethylcyclohexyl)quinoline-5-carboxamide?
N-(4-ethylcyclohexyl)quinoline-5-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)quinoline-5-carboxamide is sourced from PubChem (CID 145451400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).