4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide

C20H26N2O — CID 20895152

IUPAC4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C20H26N2O/c1-2-3-6-15-10-12-17(13-11-15)20(23)22-18-9-4-7-16-8-5-14-21-19(16)18/h4-5,7-9,14-15,17H,2-3,6,10-13H2,1H3,(H,22,23)
InChIKeyDWXDWWBMFVORHT-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.17
Rot. Bonds5

About 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide

4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide (PubChem CID 20895152) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
PubChem CID20895152
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C20H26N2O/c1-2-3-6-15-10-12-17(13-11-15)20(23)22-18-9-4-7-16-8-5-14-21-19(16)18/h4-5,7-9,14-15,17H,2-3,6,10-13H2,1H3,(H,22,23)
InChIKeyDWXDWWBMFVORHT-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008386
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 91659324
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate
CID 110440902
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
N-quinolin-8-ylundecanamide
CID 3567928
(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
CID 120631987
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
4-hexyl-N-isoquinolin-3-ylcyclohexane-1-carboxamide
CID 3603758

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide (CID 20895152) is 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
The InChIKey is DWXDWWBMFVORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-3-6-15-10-12-17(13-11-15)20(23)22-18-9-4-7-16-8-5-14-21-19(16)18/h4-5,7-9,14-15,17H,2-3,6,10-13H2,1H3,(H,22,23).
What are the key properties of 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide?
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 20895152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).