[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C21H15Cl2FN2O2 — CID 46195706

IUPAC[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccncc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccc(F)cc21
InChIInChI=1S/C21H15Cl2FN2O2/c22-14-4-6-17(23)19(10-14)28-20-12-25-8-7-16(20)21(27)26-9-1-2-13-3-5-15(24)11-18(13)26/h3-8,10-12H,1-2,9H2
InChIKeyGMPQMVPDRRLXKO-UHFFFAOYSA-N
MW417.27 g/mol
LogP5.91
Rot. Bonds3

About [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 46195706) has the molecular formula C21H15Cl2FN2O2 and a molecular weight of 417.27 g/mol. Its IUPAC name is [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID46195706
Molecular FormulaC21H15Cl2FN2O2
Molecular Weight417.27 g/mol
Exact Mass416.05
IUPAC Name[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccncc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccc(F)cc21
InChIInChI=1S/C21H15Cl2FN2O2/c22-14-4-6-17(23)19(10-14)28-20-12-25-8-7-16(20)21(27)26-9-1-2-13-3-5-15(24)11-18(13)26/h3-8,10-12H,1-2,9H2
InChIKeyGMPQMVPDRRLXKO-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

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 46195706) is [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccncc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccc(F)cc21.
What is the InChIKey of [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GMPQMVPDRRLXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O2/c22-14-4-6-17(23)19(10-14)28-20-12-25-8-7-16(20)21(27)26-9-1-2-13-3-5-15(24)11-18(13)26/h3-8,10-12H,1-2,9H2.
What are the key properties of [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-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 [3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 46195706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).