2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide

C18H22N2O — CID 11414871

IUPAC2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide
SMILESCC1CCC(CC(=O)Nc2cccc3ncccc23)CC1
InChIInChI=1S/C18H22N2O/c1-13-7-9-14(10-8-13)12-18(21)20-17-6-2-5-16-15(17)4-3-11-19-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,20,21)
InChIKeyJMCBXQUHXRJEAX-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide

2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide (PubChem CID 11414871) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide
PubChem CID11414871
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide
SMILESCC1CCC(CC(=O)Nc2cccc3ncccc23)CC1
InChIInChI=1S/C18H22N2O/c1-13-7-9-14(10-8-13)12-18(21)20-17-6-2-5-16-15(17)4-3-11-19-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,20,21)
InChIKeyJMCBXQUHXRJEAX-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ximelegatran
CID 448042
5-Aminoquinoline
CID 11911
(2R)-N-(4-Chlorophenyl)-2-(cis-4-(6-fluoro-4-quinolinyl)cyclohexyl)propanamide
CID 121328278
3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino}propyl)propanamide
CID 11156231
3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide
CID 11316986
2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide
CID 57519544
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
2-(2-methylquinolin-4-ylamino)-N-phenylacetamide
CID 44596230
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
Acetanilide, 3'-(9-acridinylamino)-
CID 42804
N-[2-(1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide
CID 11590581

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide (CID 11414871) is 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide is CC1CCC(CC(=O)Nc2cccc3ncccc23)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide?
The InChIKey is JMCBXQUHXRJEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-9-14(10-8-13)12-18(21)20-17-6-2-5-16-15(17)4-3-11-19-16/h2-6,11,13-14H,7-10,12H2,1H3,(H,20,21).
What are the key properties of 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide?
2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide has a molecular weight of 282.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 11414871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).