(4-ethylcyclohexyl)-quinolin-8-ylmethanone

C18H21NO — CID 81221024

IUPAC(4-ethylcyclohexyl)-quinolin-8-ylmethanone
SMILESCCC1CCC(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C18H21NO/c1-2-13-8-10-15(11-9-13)18(20)16-7-3-5-14-6-4-12-19-17(14)16/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyRRPMJIRNSOLSAU-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.63
Rot. Bonds3

About (4-ethylcyclohexyl)-quinolin-8-ylmethanone

(4-ethylcyclohexyl)-quinolin-8-ylmethanone (PubChem CID 81221024) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-quinolin-8-ylmethanone
PubChem CID81221024
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(4-ethylcyclohexyl)-quinolin-8-ylmethanone
SMILESCCC1CCC(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C18H21NO/c1-2-13-8-10-15(11-9-13)18(20)16-7-3-5-14-6-4-12-19-17(14)16/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyRRPMJIRNSOLSAU-UHFFFAOYSA-N
XLogP4.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(quinolin-8-yl)methanone
CID 81220027
(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone
CID 64774792
3-(quinoline-8-carbonyl)cyclopentan-1-one
CID 79638933
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-quinolin-8-ylmethanone?
The IUPAC name of (4-ethylcyclohexyl)-quinolin-8-ylmethanone (CID 81221024) is (4-ethylcyclohexyl)-quinolin-8-ylmethanone.
What is the SMILES notation for (4-ethylcyclohexyl)-quinolin-8-ylmethanone?
The canonical SMILES for (4-ethylcyclohexyl)-quinolin-8-ylmethanone is CCC1CCC(C(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-quinolin-8-ylmethanone?
The InChIKey is RRPMJIRNSOLSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-13-8-10-15(11-9-13)18(20)16-7-3-5-14-6-4-12-19-17(14)16/h3-7,12-13,15H,2,8-11H2,1H3.
What are the key properties of (4-ethylcyclohexyl)-quinolin-8-ylmethanone?
(4-ethylcyclohexyl)-quinolin-8-ylmethanone has a molecular weight of 267.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-quinolin-8-ylmethanone is sourced from PubChem (CID 81221024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).