(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride

C21H29Cl2N3O — CID 119491465

IUPAC(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)C1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-13-9-14(2)20-17(10-13)18(11-19(23-20)15-6-7-15)21(25)24-8-4-5-16(12-24)22-3;;/h9-11,15-16,22H,4-8,12H2,1-3H3;2*1H
InChIKeyDEVLGWKLQIXJRY-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.40
Rot. Bonds3

About (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride

(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119491465) has the molecular formula C21H29Cl2N3O and a molecular weight of 410.39 g/mol. Its IUPAC name is (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119491465
Molecular FormulaC21H29Cl2N3O
Molecular Weight410.39 g/mol
Exact Mass409.17
IUPAC Name(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)C1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-13-9-14(2)20-17(10-13)18(11-19(23-20)15-6-7-15)21(25)24-8-4-5-16(12-24)22-3;;/h9-11,15-16,22H,4-8,12H2,1-3H3;2*1H
InChIKeyDEVLGWKLQIXJRY-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-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

(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 119152117
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 119633241
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 71923022
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490883
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575295
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
CID 119351411
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70782397

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119491465) is (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride is CNC1CCCN(C(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)C1.Cl.Cl.
What is the InChIKey of (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is DEVLGWKLQIXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.2ClH/c1-13-9-14(2)20-17(10-13)18(11-19(23-20)15-6-7-15)21(25)24-8-4-5-16(12-24)22-3;;/h9-11,15-16,22H,4-8,12H2,1-3H3;2*1H.
What are the key properties of (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 410.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119491465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).