1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H20ClNO2 — CID 142306751

IUPAC1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1CCN(C(C)=O)c2ccc(Oc3cccc(Cl)c3)cc21
InChIInChI=1S/C19H20ClNO2/c1-3-14-9-10-21(13(2)22)19-8-7-17(12-18(14)19)23-16-6-4-5-15(20)11-16/h4-8,11-12,14H,3,9-10H2,1-2H3
InChIKeyVMODRWSPZOVPNG-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.38
Rot. Bonds3

About 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 142306751) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID142306751
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1CCN(C(C)=O)c2ccc(Oc3cccc(Cl)c3)cc21
InChIInChI=1S/C19H20ClNO2/c1-3-14-9-10-21(13(2)22)19-8-7-17(12-18(14)19)23-16-6-4-5-15(20)11-16/h4-8,11-12,14H,3,9-10H2,1-2H3
InChIKeyVMODRWSPZOVPNG-UHFFFAOYSA-N
XLogP5.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(3-chlorophenoxy)-4-ethyl-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

2-(1-acetyl-6-chloro-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 82625253
1-[5-(2-aminoethyl)-7-ethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82626412
butyl (4R)-4-ethyl-7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 91310287
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
CID 124612110
[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone
CID 136586890
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone
CID 83754353
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110636401
butyl 6-(3-chlorophenoxy)-1-cyclopropyl-4-hydroxyisoquinoline-3-carboxylate
CID 156786187
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 142306751) is 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCC1CCN(C(C)=O)c2ccc(Oc3cccc(Cl)c3)cc21.
What is the InChIKey of 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is VMODRWSPZOVPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-3-14-9-10-21(13(2)22)19-8-7-17(12-18(14)19)23-16-6-4-5-15(20)11-16/h4-8,11-12,14H,3,9-10H2,1-2H3.
What are the key properties of 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 329.83 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chlorophenoxy)-4-ethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 142306751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).