[6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol

C21H24FNO2 — CID 58027131

IUPAC[6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol
SMILESCCOc1cc(F)ccc1-c1ccc2c(c1CO)C(C)=CC(C)(C)N2
InChIInChI=1S/C21H24FNO2/c1-5-25-19-10-14(22)6-7-16(19)15-8-9-18-20(17(15)12-24)13(2)11-21(3,4)23-18/h6-11,23-24H,5,12H2,1-4H3
InChIKeyQQPPXKCZLDYFIF-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.99
Rot. Bonds4

About [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol

[6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol (PubChem CID 58027131) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol.

Molecular Properties

Compound Name[6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol
PubChem CID58027131
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name[6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol
SMILESCCOc1cc(F)ccc1-c1ccc2c(c1CO)C(C)=CC(C)(C)N2
InChIInChI=1S/C21H24FNO2/c1-5-25-19-10-14(22)6-7-16(19)15-8-9-18-20(17(15)12-24)13(2)11-21(3,4)23-18/h6-11,23-24H,5,12H2,1-4H3
InChIKeyQQPPXKCZLDYFIF-UHFFFAOYSA-N
XLogP4.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol?
The IUPAC name of [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol (CID 58027131) is [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol.
What is the SMILES notation for [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol?
The canonical SMILES for [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol is CCOc1cc(F)ccc1-c1ccc2c(c1CO)C(C)=CC(C)(C)N2.
What is the InChIKey of [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol?
The InChIKey is QQPPXKCZLDYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-5-25-19-10-14(22)6-7-16(19)15-8-9-18-20(17(15)12-24)13(2)11-21(3,4)23-18/h6-11,23-24H,5,12H2,1-4H3.
What are the key properties of [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol?
[6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol has a molecular weight of 341.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol is sourced from PubChem (CID 58027131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).