2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C12H14ClNO — CID 3271608

IUPAC2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(Cl)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C12H14ClNO/c1-9(13)12(15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyHGZBRNUARKFHGK-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.59
Rot. Bonds1

About 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 3271608) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID3271608
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(Cl)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C12H14ClNO/c1-9(13)12(15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyHGZBRNUARKFHGK-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.59
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

[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanoic acid
CID 103498667
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536652
(2S)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763090
(2R)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763093
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 3271608) is 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC(Cl)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is HGZBRNUARKFHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-9(13)12(15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 223.70 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 3271608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).