(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone

C16H18ClN3O — CID 97094000

IUPAC(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-11-10-19(2)6-7-20(11)16(21)14-9-13(17)8-12-4-3-5-18-15(12)14/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m1/s1
InChIKeyAKZMDZZUFCGYFA-LLVKDONJSA-N
MW303.79 g/mol
LogP2.66
Rot. Bonds1

About (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone

(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone (PubChem CID 97094000) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
PubChem CID97094000
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C16H18ClN3O/c1-11-10-19(2)6-7-20(11)16(21)14-9-13(17)8-12-4-3-5-18-15(12)14/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m1/s1
InChIKeyAKZMDZZUFCGYFA-LLVKDONJSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone 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

(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877406
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloroquinolin-8-yl)methanone;dihydrochloride
CID 120658469
(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 71877134
(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 154741586
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
6-chloro-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]quinoline-8-carboxamide
CID 95317979
(6-fluoroquinolin-8-yl)-(3-methylazetidin-1-yl)methanone
CID 166218123
(4aR,8aS)-6-(6-chloroquinoline-8-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 166294355
(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 51107660
[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 97066486
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125

Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone (CID 97094000) is (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone is C[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone?
The InChIKey is AKZMDZZUFCGYFA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-10-19(2)6-7-20(11)16(21)14-9-13(17)8-12-4-3-5-18-15(12)14/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone?
(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone has a molecular weight of 303.79 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 97094000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).