4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one

C11H12ClNO — CID 14624973

IUPAC4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CCCl)c2ccccc2N1
InChIInChI=1S/C11H12ClNO/c12-6-5-8-7-11(14)13-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,13,14)
InChIKeyRKESVMFIRZZEKY-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.74
Rot. Bonds2

About 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one

4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 14624973) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID14624973
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CCCl)c2ccccc2N1
InChIInChI=1S/C11H12ClNO/c12-6-5-8-7-11(14)13-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,13,14)
InChIKeyRKESVMFIRZZEKY-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 96630122
(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 99781975
4-[[1-(furan-2-yl)ethylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 84588587
(4S)-4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 98800328
1-cyclopentyl-1-cyclopropyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]urea
CID 75376851
3-ethyl-1,1-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 86780927
2-oxo-N-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 154749870
(4S)-4-[[[5-(difluoromethoxy)-2-pyridinyl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 97138261
(4S)-4-[(1S)-2,2-difluorocyclopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 125483740
2-(2-methylpropyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 111823615
4-[2-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 136567423
7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
CID 105460306

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one (CID 14624973) is 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(CCCl)c2ccccc2N1.
What is the InChIKey of 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RKESVMFIRZZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-6-5-8-7-11(14)13-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,13,14).
What are the key properties of 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one?
4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 209.68 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 14624973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).