(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C16H13ClFNO — CID 79746341

IUPAC(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1cccc(Cl)c1F)C1CCCc2cccnc21
InChIInChI=1S/C16H13ClFNO/c17-13-8-2-6-11(14(13)18)16(20)12-7-1-4-10-5-3-9-19-15(10)12/h2-3,5-6,8-9,12H,1,4,7H2
InChIKeyOPHLXVCXFMODKQ-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.18
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 79746341) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID79746341
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1cccc(Cl)c1F)C1CCCc2cccnc21
InChIInChI=1S/C16H13ClFNO/c17-13-8-2-6-11(14(13)18)16(20)12-7-1-4-10-5-3-9-19-15(10)12/h2-3,5-6,8-9,12H,1,4,7H2
InChIKeyOPHLXVCXFMODKQ-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
CID 115783797

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 79746341) is (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is O=C(c1cccc(Cl)c1F)C1CCCc2cccnc21.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is OPHLXVCXFMODKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-8-2-6-11(14(13)18)16(20)12-7-1-4-10-5-3-9-19-15(10)12/h2-3,5-6,8-9,12H,1,4,7H2.
What are the key properties of (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 289.74 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 79746341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).