1-ethylquinolin-2-one;hydrochloride

C11H12ClNO — CID 141095108

IUPAC1-ethylquinolin-2-one;hydrochloride
SMILESCCn1c(=O)ccc2ccccc21.Cl
InChIInChI=1S/C11H11NO.ClH/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13;/h3-8H,2H2,1H3;1H
InChIKeyGLGOVIORUDCBHW-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.44
Rot. Bonds1

About 1-ethylquinolin-2-one;hydrochloride

1-ethylquinolin-2-one;hydrochloride (PubChem CID 141095108) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-ethylquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-ethylquinolin-2-one;hydrochloride
PubChem CID141095108
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-ethylquinolin-2-one;hydrochloride
SMILESCCn1c(=O)ccc2ccccc21.Cl
InChIInChI=1S/C11H11NO.ClH/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13;/h3-8H,2H2,1H3;1H
InChIKeyGLGOVIORUDCBHW-UHFFFAOYSA-N
XLogP2.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-(3-methylbut-2-enyl)quinolin-2-one
CID 57006693
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
CID 10729461
1-(ethylamino)quinolin-2-one
CID 68767328
1-[(2S)-3-iodo-2-methylpropyl]quinolin-2-one
CID 68910508
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one
CID 65006227
1-[(4-chlorophenyl)methyl]quinolin-2-one
CID 58966930
2-bromo-1-ethylindole
CID 20753566
1-ethyl-5-hydroxyquinolin-2-one
CID 70394482
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817

Frequently Asked Questions

What is the IUPAC name of 1-ethylquinolin-2-one;hydrochloride?
The IUPAC name of 1-ethylquinolin-2-one;hydrochloride (CID 141095108) is 1-ethylquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-ethylquinolin-2-one;hydrochloride?
The canonical SMILES for 1-ethylquinolin-2-one;hydrochloride is CCn1c(=O)ccc2ccccc21.Cl.
What is the InChIKey of 1-ethylquinolin-2-one;hydrochloride?
The InChIKey is GLGOVIORUDCBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.ClH/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13;/h3-8H,2H2,1H3;1H.
What are the key properties of 1-ethylquinolin-2-one;hydrochloride?
1-ethylquinolin-2-one;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylquinolin-2-one;hydrochloride is sourced from PubChem (CID 141095108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).