[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H15Cl2FN2O2 — CID 59294494

IUPAC[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(F)cnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C21H15Cl2FN2O2/c22-14-7-8-17(23)19(10-14)28-20-16(11-15(24)12-25-20)21(27)26-9-3-5-13-4-1-2-6-18(13)26/h1-2,4,6-8,10-12H,3,5,9H2
InChIKeyYDOVVIJQIKMWLO-UHFFFAOYSA-N
MW417.27 g/mol
LogP5.91
Rot. Bonds3

About [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 59294494) has the molecular formula C21H15Cl2FN2O2 and a molecular weight of 417.27 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID59294494
Molecular FormulaC21H15Cl2FN2O2
Molecular Weight417.27 g/mol
Exact Mass416.05
IUPAC Name[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(F)cnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C21H15Cl2FN2O2/c22-14-7-8-17(23)19(10-14)28-20-16(11-15(24)12-25-20)21(27)26-9-3-5-13-4-1-2-6-18(13)26/h1-2,4,6-8,10-12H,3,5,9H2
InChIKeyYDOVVIJQIKMWLO-UHFFFAOYSA-N
XLogP5.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.27
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[2-(2,5-difluorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46195845
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194987
(2-chloro-5-fluoro-3-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 103893098
[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46195706
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 59294486
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 46194296
[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 46195276
tert-butyl 4-[4-(2,5-dichlorophenoxy)pyridine-3-carbonyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 141309045
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 59294494) is [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cc(F)cnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is YDOVVIJQIKMWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O2/c22-14-7-8-17(23)19(10-14)28-20-16(11-15(24)12-25-20)21(27)26-9-3-5-13-4-1-2-6-18(13)26/h1-2,4,6-8,10-12H,3,5,9H2.
What are the key properties of [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 417.27 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 59294494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).