2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one

C20H17ClN2O — CID 158866664

IUPAC2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C10H8ClN.C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3;2-6H,1H3,(H,11,12)
InChIKeyJBHXSQAKIQNNPC-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.03
Rot. Bonds

About 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one

2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one (PubChem CID 158866664) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one
PubChem CID158866664
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C10H8ClN.C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3;2-6H,1H3,(H,11,12)
InChIKeyJBHXSQAKIQNNPC-UHFFFAOYSA-N
XLogP5.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one
CID 159503440
8-methyl-1H-benzo[b][1,8]naphthyridin-2-one
CID 15355237
6-chloro-1H-1,7-naphthyridin-2-one
CID 15592373
6-(4-chlorophenyl)-1H-quinolin-2-one
CID 67364248
6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one
CID 87438206
N-[6-(bromomethyl)quinolin-2-yl]acetamide;2-chloro-6-methylquinoline;N-[6-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-yl]acetamide;(E)-1-(4-methylphenyl)-4-phenylbut-3-en-2-one;6-methyl-1H-quinolin-2-one;N-(6-methylquinolin-2-yl)acetamide
CID 160717122
7-methyl-1H-quinoxalin-2-one
CID 583114
6-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-1H-quinolin-2-one
CID 13260237
2,7-dimethylacridine
CID 14490101
2-oxo-1H-quinoline-6-carbaldehyde
CID 11816137
iodomethane;2-iodo-6-methylquinoline
CID 87637149
6-pyrimidin-5-yl-1H-quinolin-2-one
CID 14220993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one?
The IUPAC name of 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one (CID 158866664) is 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one?
The canonical SMILES for 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)ccc2c1.Cc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one?
The InChIKey is JBHXSQAKIQNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN.C10H9NO/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-4-9-8(6-7)3-5-10(12)11-9/h2-6H,1H3;2-6H,1H3,(H,11,12).
What are the key properties of 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one?
2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one has a molecular weight of 336.82 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 158866664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).