8-chloro-6-methyl-3H-quinolin-4-one

C10H8ClNO — CID 130157306

IUPAC8-chloro-6-methyl-3H-quinolin-4-one
SMILESCc1cc(Cl)c2c(c1)C(=O)CC=N2
InChIInChI=1S/C10H8ClNO/c1-6-4-7-9(13)2-3-12-10(7)8(11)5-6/h3-5H,2H2,1H3
InChIKeyJWGOSLKTGUUZQL-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.94
Rot. Bonds

About 8-chloro-6-methyl-3H-quinolin-4-one

8-chloro-6-methyl-3H-quinolin-4-one (PubChem CID 130157306) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 8-chloro-6-methyl-3H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-6-methyl-3H-quinolin-4-one
PubChem CID130157306
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name8-chloro-6-methyl-3H-quinolin-4-one
SMILESCc1cc(Cl)c2c(c1)C(=O)CC=N2
InChIInChI=1S/C10H8ClNO/c1-6-4-7-9(13)2-3-12-10(7)8(11)5-6/h3-5H,2H2,1H3
InChIKeyJWGOSLKTGUUZQL-UHFFFAOYSA-N
XLogP2.94
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methyl-3H-quinolin-4-one?
The IUPAC name of 8-chloro-6-methyl-3H-quinolin-4-one (CID 130157306) is 8-chloro-6-methyl-3H-quinolin-4-one.
What is the SMILES notation for 8-chloro-6-methyl-3H-quinolin-4-one?
The canonical SMILES for 8-chloro-6-methyl-3H-quinolin-4-one is Cc1cc(Cl)c2c(c1)C(=O)CC=N2.
What is the InChIKey of 8-chloro-6-methyl-3H-quinolin-4-one?
The InChIKey is JWGOSLKTGUUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-4-7-9(13)2-3-12-10(7)8(11)5-6/h3-5H,2H2,1H3.
What are the key properties of 8-chloro-6-methyl-3H-quinolin-4-one?
8-chloro-6-methyl-3H-quinolin-4-one has a molecular weight of 193.63 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-methyl-3H-quinolin-4-one is sourced from PubChem (CID 130157306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).