2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

C17H15ClFNO — CID 116554454

IUPAC2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H15ClFNO/c18-17-13(3-1-5-14(17)19)10-16(21)12-6-7-15-11(9-12)4-2-8-20-15/h1,3,5-7,9,20H,2,4,8,10H2
InChIKeyMDERVIVLYAHYDM-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (PubChem CID 116554454) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
PubChem CID116554454
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H15ClFNO/c18-17-13(3-1-5-14(17)19)10-16(21)12-6-7-15-11(9-12)4-2-8-20-15/h1,3,5-7,9,20H,2,4,8,10H2
InChIKeyMDERVIVLYAHYDM-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 114935348
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554333
2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308
2-(2,5-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554419
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 103052290
(2,3-difluorophenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554328
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
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
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 106871189

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone (CID 116554454) is 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is O=C(Cc1cccc(F)c1Cl)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
The InChIKey is MDERVIVLYAHYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-17-13(3-1-5-14(17)19)10-16(21)12-6-7-15-11(9-12)4-2-8-20-15/h1,3,5-7,9,20H,2,4,8,10H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone has a molecular weight of 303.76 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone is sourced from PubChem (CID 116554454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).