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

C17H15Cl2NO — CID 116554419

IUPAC2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H15Cl2NO/c18-14-4-5-15(19)13(9-14)10-17(21)12-3-6-16-11(8-12)2-1-7-20-16/h3-6,8-9,20H,1-2,7,10H2
InChIKeyVJYZYYAOQUZYOS-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.78
Rot. Bonds3

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

2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (PubChem CID 116554419) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
PubChem CID116554419
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESO=C(Cc1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H15Cl2NO/c18-14-4-5-15(19)13(9-14)10-17(21)12-3-6-16-11(8-12)2-1-7-20-16/h3-6,8-9,20H,1-2,7,10H2
InChIKeyVJYZYYAOQUZYOS-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-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554333
2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554454
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (CID 116554419) is 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is O=C(Cc1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The InChIKey is VJYZYYAOQUZYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-14-4-5-15(19)13(9-14)10-17(21)12-3-6-16-11(8-12)2-1-7-20-16/h3-6,8-9,20H,1-2,7,10H2.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-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-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is sourced from PubChem (CID 116554419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).