[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride

C17H22Cl3N3O — CID 119435711

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl
InChIInChI=1S/C17H20ClN3O.2ClH/c1-11(19)16-4-2-3-9-21(16)17(22)14-8-6-12-5-7-13(18)10-15(12)20-14;;/h5-8,10-11,16H,2-4,9,19H2,1H3;2*1H
InChIKeyTYCZCJLSVPXBKT-UHFFFAOYSA-N
MW390.74 g/mol
LogP4.07
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride (PubChem CID 119435711) has the molecular formula C17H22Cl3N3O and a molecular weight of 390.74 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
PubChem CID119435711
Molecular FormulaC17H22Cl3N3O
Molecular Weight390.74 g/mol
Exact Mass389.08
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl
InChIInChI=1S/C17H20ClN3O.2ClH/c1-11(19)16-4-2-3-9-21(16)17(22)14-8-6-12-5-7-13(18)10-15(12)20-14;;/h5-8,10-11,16H,2-4,9,19H2,1H3;2*1H
InChIKeyTYCZCJLSVPXBKT-UHFFFAOYSA-N
XLogP4.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.74
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119437020
(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649937
(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 119374355
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119434426
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119436087
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 119436569
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119435814
[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119434902

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride (CID 119435711) is [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride is CC(N)C1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
The InChIKey is TYCZCJLSVPXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O.2ClH/c1-11(19)16-4-2-3-9-21(16)17(22)14-8-6-12-5-7-13(18)10-15(12)20-14;;/h5-8,10-11,16H,2-4,9,19H2,1H3;2*1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride has a molecular weight of 390.74 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119435711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).