2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

C17H15ClFNO — CID 102622227

IUPAC2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C17H15ClFNO/c18-15-7-6-12(19)9-11(15)10-17(21)14-3-1-5-16-13(14)4-2-8-20-16/h1,3,5-7,9,20H,2,4,8,10H2
InChIKeyFFIZQJVZUVTMPA-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone

2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (PubChem CID 102622227) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
PubChem CID102622227
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1cc(F)ccc1Cl)c1cccc2c1CCCN2
InChIInChI=1S/C17H15ClFNO/c18-15-7-6-12(19)9-11(15)10-17(21)14-3-1-5-16-13(14)4-2-8-20-16/h1,3,5-7,9,20H,2,4,8,10H2
InChIKeyFFIZQJVZUVTMPA-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-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
4(1H)-Quinolinone,3-dihydro-6-(1-pyrrolidinyl)-
CID 395560
2-[2-(2-Chloro-6-fluorophenyl)vinyl]-4-quinolinol
CID 5740575
3-(1-(3-chlorobenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one
CID 10070183
6-(4-chlorophenyl)-1,3-difluoro-10H-acridin-9-one
CID 156019730
3-{[4-Chloro-3-(trifluoromethyl)phenyl]amino}-1-phenylpropan-1-one
CID 726093
1-Chlorophenanthridin-6(5h)-one
CID 278729
2-(aminomethyl)-6-(2-chloro-4-fluorophenyl)-1H-quinolin-4-one
CID 130302119
Benzamide, 2-chloro-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-
CID 37748
3-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 44330138
5-(4-Chlorobenzamido)isoquinolin-1-one
CID 52936785
1-[4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
CID 3116374

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (CID 102622227) is 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is O=C(Cc1cc(F)ccc1Cl)c1cccc2c1CCCN2.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The InChIKey is FFIZQJVZUVTMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-15-7-6-12(19)9-11(15)10-17(21)14-3-1-5-16-13(14)4-2-8-20-16/h1,3,5-7,9,20H,2,4,8,10H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
2-(2-chloro-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-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-5-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is sourced from PubChem (CID 102622227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).