(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone

C17H16FNO — CID 47168679

IUPAC(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-12-5-2-3-7-15(12)17(20)19-10-4-6-13-11-14(18)8-9-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyZLHWROAQPMLWGJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.73
Rot. Bonds1

About (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone (PubChem CID 47168679) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
PubChem CID47168679
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C17H16FNO/c1-12-5-2-3-7-15(12)17(20)19-10-4-6-13-11-14(18)8-9-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyZLHWROAQPMLWGJ-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-3-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-4-methylbenzenesulfonamide
CID 55614517
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
(4-fluoro-2-methylphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115970106
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(5-chlorothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47168711
[13-chloro-7-[(E)-prop-1-enyl]-2,7-diazabicyclo[9.4.0]pentadeca-1(11),12,14-trien-2-yl]-(2-fluorophenyl)methanone
CID 143074170
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone (CID 47168679) is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCCc2cc(F)ccc21.
What is the InChIKey of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is ZLHWROAQPMLWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-12-5-2-3-7-15(12)17(20)19-10-4-6-13-11-14(18)8-9-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone?
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone has a molecular weight of 269.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 47168679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).