(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone

C18H22N2O — CID 116603535

IUPAC(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2cc(N)c3ccccc3n2)C1
InChIInChI=1S/C18H22N2O/c1-2-12-6-5-7-13(10-12)18(21)17-11-15(19)14-8-3-4-9-16(14)20-17/h3-4,8-9,11-13H,2,5-7,10H2,1H3,(H2,19,20)
InChIKeyLXCSJGRENPGKAE-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.22
Rot. Bonds3

About (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone

(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone (PubChem CID 116603535) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone
PubChem CID116603535
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)c2cc(N)c3ccccc3n2)C1
InChIInChI=1S/C18H22N2O/c1-2-12-6-5-7-13(10-12)18(21)17-11-15(19)14-8-3-4-9-16(14)20-17/h3-4,8-9,11-13H,2,5-7,10H2,1H3,(H2,19,20)
InChIKeyLXCSJGRENPGKAE-UHFFFAOYSA-N
XLogP4.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
2-cyclobutylethyl 4-aminoquinoline-2-carboxylate
CID 106202811
(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124726
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 116581278
4-amino-N-cyclopentyloxyquinoline-2-carboxamide
CID 83216868
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-[2-(hydroxymethyl)cyclopentyl]quinoline-2-carboxamide
CID 103856999
1-(4-aminoquinolin-2-yl)but-3-yn-1-one
CID 116603510
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
4-amino-N-(3-methoxycyclopentyl)quinoline-2-carboxamide
CID 103099401
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone?
The IUPAC name of (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone (CID 116603535) is (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone?
The canonical SMILES for (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)c2cc(N)c3ccccc3n2)C1.
What is the InChIKey of (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone?
The InChIKey is LXCSJGRENPGKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-12-6-5-7-13(10-12)18(21)17-11-15(19)14-8-3-4-9-16(14)20-17/h3-4,8-9,11-13H,2,5-7,10H2,1H3,(H2,19,20).
What are the key properties of (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone?
(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone has a molecular weight of 282.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 116603535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).