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

C22H16Cl2FNO2 — CID 59294482

IUPAC[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C22H16Cl2FNO2/c23-15-7-9-18(24)21(12-15)28-20-10-8-16(25)13-17(20)22(27)26-11-3-5-14-4-1-2-6-19(14)26/h1-2,4,6-10,12-13H,3,5,11H2
InChIKeyCNWZNVCQPJXKHF-UHFFFAOYSA-N
MW416.28 g/mol
LogP6.52
Rot. Bonds3

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

[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 59294482) has the molecular formula C22H16Cl2FNO2 and a molecular weight of 416.28 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID59294482
Molecular FormulaC22H16Cl2FNO2
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C22H16Cl2FNO2/c23-15-7-9-18(24)21(12-15)28-20-10-8-16(25)13-17(20)22(27)26-11-3-5-14-4-1-2-6-19(14)26/h1-2,4,6-10,12-13H,3,5,11H2
InChIKeyCNWZNVCQPJXKHF-UHFFFAOYSA-N
XLogP6.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.28
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 59294482) is [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cc(F)ccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CNWZNVCQPJXKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FNO2/c23-15-7-9-18(24)21(12-15)28-20-10-8-16(25)13-17(20)22(27)26-11-3-5-14-4-1-2-6-19(14)26/h1-2,4,6-10,12-13H,3,5,11H2.
What are the key properties of [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 416.28 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 59294482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).