2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C12H13Cl2NO — CID 22328468

IUPAC2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2ccccc2N1C(=O)C(Cl)Cl
InChIInChI=1S/C12H13Cl2NO/c1-8-6-7-9-4-2-3-5-10(9)15(8)12(16)11(13)14/h2-5,8,11H,6-7H2,1H3
InChIKeyLPCHEYGJJBDGHB-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.16
Rot. Bonds1

About 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 22328468) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID22328468
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2ccccc2N1C(=O)C(Cl)Cl
InChIInChI=1S/C12H13Cl2NO/c1-8-6-7-9-4-2-3-5-10(9)15(8)12(16)11(13)14/h2-5,8,11H,6-7H2,1H3
InChIKeyLPCHEYGJJBDGHB-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 107143827
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
2-(3,4-difluorophenoxy)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 112813162
(4-aminooxan-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115293471
[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95898230
(4-ethylphenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765959
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 78846470
(2R)-2-(1H-imidazol-2-ylsulfonyl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 97234596

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 22328468) is 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC1CCc2ccccc2N1C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is LPCHEYGJJBDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-8-6-7-9-4-2-3-5-10(9)15(8)12(16)11(13)14/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 258.15 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 22328468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).