(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H16FNO2 — CID 110709472

IUPAC(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FNO2/c1-21-16-10-11-19(15-5-3-2-4-14(15)16)17(20)12-6-8-13(18)9-7-12/h2-9,16H,10-11H2,1H3
InChIKeyJRPVXXNAGWHRNG-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.56
Rot. Bonds2

About (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110709472) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110709472
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H16FNO2/c1-21-16-10-11-19(15-5-3-2-4-14(15)16)17(20)12-6-8-13(18)9-7-12/h2-9,16H,10-11H2,1H3
InChIKeyJRPVXXNAGWHRNG-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110741415
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709489
2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709515
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
2-(3-fluorophenoxy)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709524
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
[(1S,2aR,8bR)-4-(4-fluorobenzoyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-phenylmethanone
CID 54653752
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110709472) is (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COC1CCN(C(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is JRPVXXNAGWHRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-16-10-11-19(15-5-3-2-4-14(15)16)17(20)12-6-8-13(18)9-7-12/h2-9,16H,10-11H2,1H3.
What are the key properties of (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110709472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).