1-(2-chloroethyl)-3,4-dihydroquinolin-2-one

C11H12ClNO — CID 12992360

IUPAC1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCl
InChIInChI=1S/C11H12ClNO/c12-7-8-13-10-4-2-1-3-9(10)5-6-11(13)14/h1-4H,5-8H2
InChIKeyNHQHUBOLAKEMOP-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.20
Rot. Bonds2

About 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one

1-(2-chloroethyl)-3,4-dihydroquinolin-2-one (PubChem CID 12992360) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
PubChem CID12992360
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCl
InChIInChI=1S/C11H12ClNO/c12-7-8-13-10-4-2-1-3-9(10)5-6-11(13)14/h1-4H,5-8H2
InChIKeyNHQHUBOLAKEMOP-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43168521
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 104863706
N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
CID 110729989
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 65249399
N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
CID 141154790

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one (CID 12992360) is 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is NHQHUBOLAKEMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-7-8-13-10-4-2-1-3-9(10)5-6-11(13)14/h1-4H,5-8H2.
What are the key properties of 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one?
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 12992360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).