2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

C17H15Cl2NO — CID 116610346

IUPAC2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C17H15Cl2NO/c18-14-6-2-7-15(19)13(14)10-17(21)12-4-1-8-16-11(12)5-3-9-20-16/h1-2,4,6-8,20H,3,5,9-10H2
InChIKeySMLIWNPRSHRGIL-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.78
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (PubChem CID 116610346) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
PubChem CID116610346
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C17H15Cl2NO/c18-14-6-2-7-15(19)13(14)10-17(21)12-4-1-8-16-11(12)5-3-9-20-16/h1-2,4,6-8,20H,3,5,9-10H2
InChIKeySMLIWNPRSHRGIL-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610432
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103052466
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 103042672
2-(3,5-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 105412079
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554333
2-(2-bromo-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610473
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491
N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 103094226
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (CID 116610346) is 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is O=C(Cc1c(Cl)cccc1Cl)c1cccc2c1CCCN2.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The InChIKey is SMLIWNPRSHRGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-14-6-2-7-15(19)13(14)10-17(21)12-4-1-8-16-11(12)5-3-9-20-16/h1-2,4,6-8,20H,3,5,9-10H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone has a molecular weight of 320.22 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is sourced from PubChem (CID 116610346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).