4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one

C12H11Cl2NO — CID 15749846

IUPAC4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2c(Cl)c(CCCl)c(=O)[nH]c12
InChIInChI=1S/C12H11Cl2NO/c1-7-3-2-4-8-10(14)9(5-6-13)12(16)15-11(7)8/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyDANIVJPHNHEYOJ-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.27
Rot. Bonds2

About 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one

4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one (PubChem CID 15749846) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
PubChem CID15749846
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2c(Cl)c(CCCl)c(=O)[nH]c12
InChIInChI=1S/C12H11Cl2NO/c1-7-3-2-4-8-10(14)9(5-6-13)12(16)15-11(7)8/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyDANIVJPHNHEYOJ-UHFFFAOYSA-N
XLogP3.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-(2-chloroethyl)-8-methylquinoline
CID 15749820
6-methyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937674
8-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 115021368
3-(2-isocyanoethyl)-2,7-dimethyl-1H-indole
CID 83485119
3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one
CID 865117
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
4-hydroxy-8-methyl-3-phenyl-1H-quinolin-2-one
CID 54705757
(2,8-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 3328598
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
8-chloro-3-[(4-chlorophenyl)methyl]-4-methyl-1H-quinolin-2-one
CID 141173285
7-methyl-6H-pyrido[4,3-c][1]benzazepine-5,11-dione
CID 15096107
8-methyl-1-propyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115043749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one?
The IUPAC name of 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one (CID 15749846) is 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one is Cc1cccc2c(Cl)c(CCCl)c(=O)[nH]c12.
What is the InChIKey of 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one?
The InChIKey is DANIVJPHNHEYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7-3-2-4-8-10(14)9(5-6-13)12(16)15-11(7)8/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one?
4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one has a molecular weight of 256.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 15749846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).