[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone

C20H24ClN3O — CID 119595298

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C20H24ClN3O/c1-12(22)14-3-2-8-24(11-14)20(25)17-10-19(13-4-5-13)23-18-7-6-15(21)9-16(17)18/h6-7,9-10,12-14H,2-5,8,11,22H2,1H3
InChIKeyGICNLUQULOLNHG-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.96
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone (PubChem CID 119595298) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
PubChem CID119595298
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
SMILESCC(N)C1CCCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C20H24ClN3O/c1-12(22)14-3-2-8-24(11-14)20(25)17-10-19(13-4-5-13)23-18-7-6-15(21)9-16(17)18/h6-7,9-10,12-14H,2-5,8,11,22H2,1H3
InChIKeyGICNLUQULOLNHG-UHFFFAOYSA-N
XLogP3.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone with MolForge

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Related Compounds

(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119579132
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 120814660
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 124689111
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 119659842
[3-(1-aminoethyl)piperidin-1-yl]-[6-cyclopropyl-3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119592829
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone (CID 119595298) is [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone is CC(N)C1CCCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
The InChIKey is GICNLUQULOLNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-12(22)14-3-2-8-24(11-14)20(25)17-10-19(13-4-5-13)23-18-7-6-15(21)9-16(17)18/h6-7,9-10,12-14H,2-5,8,11,22H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone has a molecular weight of 357.89 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone is sourced from PubChem (CID 119595298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).