4-chloro-6-methoxy-1,3-dimethylquinolin-2-one

C12H12ClNO2 — CID 171338243

IUPAC4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
SMILESCOc1ccc2c(c1)c(Cl)c(C)c(=O)n2C
InChIInChI=1S/C12H12ClNO2/c1-7-11(13)9-6-8(16-3)4-5-10(9)14(2)12(7)15/h4-6H,1-3H3
InChIKeyXPSBHTMUPNUILM-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.51
Rot. Bonds1

About 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one

4-chloro-6-methoxy-1,3-dimethylquinolin-2-one (PubChem CID 171338243) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one.

Molecular Properties

Compound Name4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
PubChem CID171338243
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
SMILESCOc1ccc2c(c1)c(Cl)c(C)c(=O)n2C
InChIInChI=1S/C12H12ClNO2/c1-7-11(13)9-6-8(16-3)4-5-10(9)14(2)12(7)15/h4-6H,1-3H3
InChIKeyXPSBHTMUPNUILM-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one?
The IUPAC name of 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one (CID 171338243) is 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one.
What is the SMILES notation for 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one?
The canonical SMILES for 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one is COc1ccc2c(c1)c(Cl)c(C)c(=O)n2C.
What is the InChIKey of 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one?
The InChIKey is XPSBHTMUPNUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7-11(13)9-6-8(16-3)4-5-10(9)14(2)12(7)15/h4-6H,1-3H3.
What are the key properties of 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one?
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-1,3-dimethylquinolin-2-one is sourced from PubChem (CID 171338243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).