(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

C16H18ClN3O — CID 155951984

IUPAC(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCc1ccc2cc(Cl)cc(C(=O)N3CCNC[C@H]3C)c2n1
InChIInChI=1S/C16H18ClN3O/c1-10-3-4-12-7-13(17)8-14(15(12)19-10)16(21)20-6-5-18-9-11(20)2/h3-4,7-8,11,18H,5-6,9H2,1-2H3/t11-/m1/s1
InChIKeyVOAJEBNSEPHSOE-LLVKDONJSA-N
MW303.79 g/mol
LogP2.63
Rot. Bonds1

About (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone

(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 155951984) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID155951984
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCc1ccc2cc(Cl)cc(C(=O)N3CCNC[C@H]3C)c2n1
InChIInChI=1S/C16H18ClN3O/c1-10-3-4-12-7-13(17)8-14(15(12)19-10)16(21)20-6-5-18-9-11(20)2/h3-4,7-8,11,18H,5-6,9H2,1-2H3/t11-/m1/s1
InChIKeyVOAJEBNSEPHSOE-LLVKDONJSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473639
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471531
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 155951984) is (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is Cc1ccc2cc(Cl)cc(C(=O)N3CCNC[C@H]3C)c2n1.
What is the InChIKey of (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is VOAJEBNSEPHSOE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-3-4-12-7-13(17)8-14(15(12)19-10)16(21)20-6-5-18-9-11(20)2/h3-4,7-8,11,18H,5-6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 303.79 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 155951984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).