(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride

C17H23Cl2N3O — CID 119592520

IUPAC(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCC(N)C(C)C2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11-10-20(8-7-15(11)18)17(21)14-9-12(2)19-16-6-4-3-5-13(14)16;;/h3-6,9,11,15H,7-8,10,18H2,1-2H3;2*1H
InChIKeyXRYDELPOACGQRO-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.20
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride

(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119592520) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
PubChem CID119592520
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCC(N)C(C)C2)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11-10-20(8-7-15(11)18)17(21)14-9-12(2)19-16-6-4-3-5-13(14)16;;/h3-6,9,11,15H,7-8,10,18H2,1-2H3;2*1H
InChIKeyXRYDELPOACGQRO-UHFFFAOYSA-N
XLogP3.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-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

[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride (CID 119592520) is (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride is Cc1cc(C(=O)N2CCC(N)C(C)C2)c2ccccc2n1.Cl.Cl.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is XRYDELPOACGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-11-10-20(8-7-15(11)18)17(21)14-9-12(2)19-16-6-4-3-5-13(14)16;;/h3-6,9,11,15H,7-8,10,18H2,1-2H3;2*1H.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride?
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119592520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).