5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one

C12H12ClNO2 — CID 170649649

IUPAC5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one
SMILESC[C@@H](O)c1cc(=O)c2c(Cl)cccc2n1C
InChIInChI=1S/C12H12ClNO2/c1-7(15)10-6-11(16)12-8(13)4-3-5-9(12)14(10)2/h3-7,15H,1-2H3/t7-/m1/s1
InChIKeyUOGQEKWAPUWIJD-SSDOTTSWSA-N
MW237.69 g/mol
LogP2.25
Rot. Bonds1

About 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one

5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one (PubChem CID 170649649) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one.

Molecular Properties

Compound Name5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one
PubChem CID170649649
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one
SMILESC[C@@H](O)c1cc(=O)c2c(Cl)cccc2n1C
InChIInChI=1S/C12H12ClNO2/c1-7(15)10-6-11(16)12-8(13)4-3-5-9(12)14(10)2/h3-7,15H,1-2H3/t7-/m1/s1
InChIKeyUOGQEKWAPUWIJD-SSDOTTSWSA-N
XLogP2.25
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one?
The IUPAC name of 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one (CID 170649649) is 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one.
What is the SMILES notation for 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one?
The canonical SMILES for 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one is C[C@@H](O)c1cc(=O)c2c(Cl)cccc2n1C.
What is the InChIKey of 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one?
The InChIKey is UOGQEKWAPUWIJD-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7(15)10-6-11(16)12-8(13)4-3-5-9(12)14(10)2/h3-7,15H,1-2H3/t7-/m1/s1.
What are the key properties of 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one?
5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one has a molecular weight of 237.69 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1R)-1-hydroxyethyl]-1-methylquinolin-4-one is sourced from PubChem (CID 170649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).