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

C11H10ClNO — CID 15643026

IUPAC3-chloro-1,4-dimethylquinolin-2-one
SMILESCc1c(Cl)c(=O)n(C)c2ccccc12
InChIInChI=1S/C11H10ClNO/c1-7-8-5-3-4-6-9(8)13(2)11(14)10(7)12/h3-6H,1-2H3
InChIKeyMYRBCVOAWIBNDG-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.50
Rot. Bonds

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

3-chloro-1,4-dimethylquinolin-2-one (PubChem CID 15643026) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 3-chloro-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-chloro-1,4-dimethylquinolin-2-one
PubChem CID15643026
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name3-chloro-1,4-dimethylquinolin-2-one
SMILESCc1c(Cl)c(=O)n(C)c2ccccc12
InChIInChI=1S/C11H10ClNO/c1-7-8-5-3-4-6-9(8)13(2)11(14)10(7)12/h3-6H,1-2H3
InChIKeyMYRBCVOAWIBNDG-UHFFFAOYSA-N
XLogP2.50
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,4-dimethylquinolin-2-one?
The IUPAC name of 3-chloro-1,4-dimethylquinolin-2-one (CID 15643026) is 3-chloro-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 3-chloro-1,4-dimethylquinolin-2-one?
The canonical SMILES for 3-chloro-1,4-dimethylquinolin-2-one is Cc1c(Cl)c(=O)n(C)c2ccccc12.
What is the InChIKey of 3-chloro-1,4-dimethylquinolin-2-one?
The InChIKey is MYRBCVOAWIBNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-8-5-3-4-6-9(8)13(2)11(14)10(7)12/h3-6H,1-2H3.
What are the key properties of 3-chloro-1,4-dimethylquinolin-2-one?
3-chloro-1,4-dimethylquinolin-2-one has a molecular weight of 207.66 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 15643026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).