6,7-dichloro-3-methyl-1H-quinolin-2-one

C10H7Cl2NO — CID 15091486

IUPAC6,7-dichloro-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H7Cl2NO/c1-5-2-6-3-7(11)8(12)4-9(6)13-10(5)14/h2-4H,1H3,(H,13,14)
InChIKeyPKCSWVSYYWDFFK-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.14
Rot. Bonds

About 6,7-dichloro-3-methyl-1H-quinolin-2-one

6,7-dichloro-3-methyl-1H-quinolin-2-one (PubChem CID 15091486) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 6,7-dichloro-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3-methyl-1H-quinolin-2-one
PubChem CID15091486
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name6,7-dichloro-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cc(Cl)c(Cl)cc2[nH]c1=O
InChIInChI=1S/C10H7Cl2NO/c1-5-2-6-3-7(11)8(12)4-9(6)13-10(5)14/h2-4H,1H3,(H,13,14)
InChIKeyPKCSWVSYYWDFFK-UHFFFAOYSA-N
XLogP3.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Chloranocryl
CID 16560
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
7-Chloro-4-methylcarbostyril
CID 75680
3,4-dichloro-N-phenylbenzamide
CID 504156
N-(4-chloro-2-methylphenyl)-2-methylpropanamide
CID 885868
6-Chloro-2-hydroxyquinoline
CID 326646
7-Chloroquinolin-2-ol
CID 344137
4-Chloro-2-methylacetanilide
CID 78877
3',4,4'-Trichlorobenzanilide
CID 306483
3-(3,4-dichlorophenyl)-N-(3-ethylphenyl)acrylamide
CID 844231
3,4-dichloro-N-(3-chlorophenyl)benzamide
CID 221828

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6,7-dichloro-3-methyl-1H-quinolin-2-one (CID 15091486) is 6,7-dichloro-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dichloro-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6,7-dichloro-3-methyl-1H-quinolin-2-one is Cc1cc2cc(Cl)c(Cl)cc2[nH]c1=O.
What is the InChIKey of 6,7-dichloro-3-methyl-1H-quinolin-2-one?
The InChIKey is PKCSWVSYYWDFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-5-2-6-3-7(11)8(12)4-9(6)13-10(5)14/h2-4H,1H3,(H,13,14).
What are the key properties of 6,7-dichloro-3-methyl-1H-quinolin-2-one?
6,7-dichloro-3-methyl-1H-quinolin-2-one has a molecular weight of 228.08 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 15091486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).