6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one

C12H11Cl2NO — CID 134963676

IUPAC6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one
SMILESCCc1c(C)c(=O)[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C12H11Cl2NO/c1-3-7-6(2)12(16)15-11-5-10(14)9(13)4-8(7)11/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyDHIFJOJVXUIMQC-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.71
Rot. Bonds1

About 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one

6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one (PubChem CID 134963676) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one
PubChem CID134963676
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one
SMILESCCc1c(C)c(=O)[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C12H11Cl2NO/c1-3-7-6(2)12(16)15-11-5-10(14)9(13)4-8(7)11/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyDHIFJOJVXUIMQC-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one?
The IUPAC name of 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one (CID 134963676) is 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one is CCc1c(C)c(=O)[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one?
The InChIKey is DHIFJOJVXUIMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-3-7-6(2)12(16)15-11-5-10(14)9(13)4-8(7)11/h4-5H,3H2,1-2H3,(H,15,16).
What are the key properties of 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one?
6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one has a molecular weight of 256.13 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-ethyl-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 134963676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).