1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone

C19H21FN2O2 — CID 110709406

IUPAC1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESCN(C)C1CCN(C(=O)COc2ccccc2F)c2ccccc21
InChIInChI=1S/C19H21FN2O2/c1-21(2)16-11-12-22(17-9-5-3-7-14(16)17)19(23)13-24-18-10-6-4-8-15(18)20/h3-10,16H,11-13H2,1-2H3
InChIKeyROHHDAVPCABYPV-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone

1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 110709406) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID110709406
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESCN(C)C1CCN(C(=O)COc2ccccc2F)c2ccccc21
InChIInChI=1S/C19H21FN2O2/c1-21(2)16-11-12-22(17-9-5-3-7-14(16)17)19(23)13-24-18-10-6-4-8-15(18)20/h3-10,16H,11-13H2,1-2H3
InChIKeyROHHDAVPCABYPV-UHFFFAOYSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
CID 110709445
[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone
CID 110741370
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110714230
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110714320
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709515
2-(3-fluorophenoxy)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709524
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone
CID 136533444
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
CID 110127437

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone (CID 110709406) is 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone is CN(C)C1CCN(C(=O)COc2ccccc2F)c2ccccc21.
What is the InChIKey of 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is ROHHDAVPCABYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-21(2)16-11-12-22(17-9-5-3-7-14(16)17)19(23)13-24-18-10-6-4-8-15(18)20/h3-10,16H,11-13H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone?
1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 328.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 110709406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).