[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H18Cl2FNO2 — CID 46195274

IUPAC[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl)CCC2
InChIInChI=1S/C23H18Cl2FNO2/c1-14-4-2-5-15-6-3-11-27(22(14)15)23(28)18-13-17(26)8-10-20(18)29-21-12-16(24)7-9-19(21)25/h2,4-5,7-10,12-13H,3,6,11H2,1H3
InChIKeyGFJKYALULUTPPR-UHFFFAOYSA-N
MW430.31 g/mol
LogP6.83
Rot. Bonds3

About [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 46195274) has the molecular formula C23H18Cl2FNO2 and a molecular weight of 430.31 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID46195274
Molecular FormulaC23H18Cl2FNO2
Molecular Weight430.31 g/mol
Exact Mass429.07
IUPAC Name[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl)CCC2
InChIInChI=1S/C23H18Cl2FNO2/c1-14-4-2-5-15-6-3-11-27(22(14)15)23(28)18-13-17(26)8-10-20(18)29-21-12-16(24)7-9-19(21)25/h2,4-5,7-10,12-13H,3,6,11H2,1H3
InChIKeyGFJKYALULUTPPR-UHFFFAOYSA-N
XLogP6.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 56.83
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]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 46195274) is [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cccc2c1N(C(=O)c1cc(F)ccc1Oc1cc(Cl)ccc1Cl)CCC2.
What is the InChIKey of [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GFJKYALULUTPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FNO2/c1-14-4-2-5-15-6-3-11-27(22(14)15)23(28)18-13-17(26)8-10-20(18)29-21-12-16(24)7-9-19(21)25/h2,4-5,7-10,12-13H,3,6,11H2,1H3.
What are the key properties of [2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(2,5-dichlorophenoxy)-5-fluorophenyl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 430.31 g/mol, XLogP of 6.83, 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]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 46195274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).