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

C17H15ClFNO — CID 102865320

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cccc2c1CCCN2
InChIInChI=1S/C17H15ClFNO/c18-14-7-1-4-11(17(14)19)10-16(21)13-5-2-8-15-12(13)6-3-9-20-15/h1-2,4-5,7-8,20H,3,6,9-10H2
InChIKeyKWDKRGKULIXBGG-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.26
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (PubChem CID 102865320) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
PubChem CID102865320
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cccc2c1CCCN2
InChIInChI=1S/C17H15ClFNO/c18-14-7-1-4-11(17(14)19)10-16(21)13-5-2-8-15-12(13)6-3-9-20-15/h1-2,4-5,7-8,20H,3,6,9-10H2
InChIKeyKWDKRGKULIXBGG-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

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CID 270671
2-chloroacridin-9(10H)-one
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CID 395560
6-chloro-2-(3-fluorophenyl)-1H-quinolin-4-one
CID 9547810
3-(1-(3-chlorobenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one
CID 10070183
3-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(1,2,3,4-tetrahydro-quinolin-6-yl)-propan-1-one
CID 44313355
6-(4-chlorophenyl)-1,3-difluoro-10H-acridin-9-one
CID 156019730
Mls002706521
CID 270672
Zinc04755235
CID 615312
2-(2,2,2-Trifluoroethylamino)-5-chlorobenzophenone
CID 89821
2-Methylamino-5-chloro-2'-fluorobenzophenone
CID 529295
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CID 37748

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone (CID 102865320) is 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is O=C(Cc1cccc(Cl)c1F)c1cccc2c1CCCN2.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
The InChIKey is KWDKRGKULIXBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-14-7-1-4-11(17(14)19)10-16(21)13-5-2-8-15-12(13)6-3-9-20-15/h1-2,4-5,7-8,20H,3,6,9-10H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone?
2-(3-chloro-2-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-(3-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone is sourced from PubChem (CID 102865320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).