3,4,5-trichloro-1H-quinolin-2-one

C9H4Cl3NO — CID 142762208

IUPAC3,4,5-trichloro-1H-quinolin-2-one
SMILESO=c1[nH]c2cccc(Cl)c2c(Cl)c1Cl
InChIInChI=1S/C9H4Cl3NO/c10-4-2-1-3-5-6(4)7(11)8(12)9(14)13-5/h1-3H,(H,13,14)
InChIKeyKPDJFUCENUAJDK-UHFFFAOYSA-N
MW248.50 g/mol
LogP3.49
Rot. Bonds

About 3,4,5-trichloro-1H-quinolin-2-one

3,4,5-trichloro-1H-quinolin-2-one (PubChem CID 142762208) has the molecular formula C9H4Cl3NO and a molecular weight of 248.50 g/mol. Its IUPAC name is 3,4,5-trichloro-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4,5-trichloro-1H-quinolin-2-one
PubChem CID142762208
Molecular FormulaC9H4Cl3NO
Molecular Weight248.50 g/mol
Exact Mass246.94
IUPAC Name3,4,5-trichloro-1H-quinolin-2-one
SMILESO=c1[nH]c2cccc(Cl)c2c(Cl)c1Cl
InChIInChI=1S/C9H4Cl3NO/c10-4-2-1-3-5-6(4)7(11)8(12)9(14)13-5/h1-3H,(H,13,14)
InChIKeyKPDJFUCENUAJDK-UHFFFAOYSA-N
XLogP3.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-1H-quinolin-2-one?
The IUPAC name of 3,4,5-trichloro-1H-quinolin-2-one (CID 142762208) is 3,4,5-trichloro-1H-quinolin-2-one.
What is the SMILES notation for 3,4,5-trichloro-1H-quinolin-2-one?
The canonical SMILES for 3,4,5-trichloro-1H-quinolin-2-one is O=c1[nH]c2cccc(Cl)c2c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-1H-quinolin-2-one?
The InChIKey is KPDJFUCENUAJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3NO/c10-4-2-1-3-5-6(4)7(11)8(12)9(14)13-5/h1-3H,(H,13,14).
What are the key properties of 3,4,5-trichloro-1H-quinolin-2-one?
3,4,5-trichloro-1H-quinolin-2-one has a molecular weight of 248.50 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-1H-quinolin-2-one is sourced from PubChem (CID 142762208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).