[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol

C21H21FN2O — CID 126801946

IUPAC[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H21FN2O/c22-18-8-5-16(6-9-18)13-21(15-25)11-12-24(14-21)20-10-7-17-3-1-2-4-19(17)23-20/h1-10,25H,11-15H2
InChIKeyWWDLERZABVZABK-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.81
Rot. Bonds4

About [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol

[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol (PubChem CID 126801946) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol
PubChem CID126801946
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C21H21FN2O/c22-18-8-5-16(6-9-18)13-21(15-25)11-12-24(14-21)20-10-7-17-3-1-2-4-19(17)23-20/h1-10,25H,11-15H2
InChIKeyWWDLERZABVZABK-UHFFFAOYSA-N
XLogP3.81
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol (CID 126801946) is [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol is OCC1(Cc2ccc(F)cc2)CCN(c2ccc3ccccc3n2)C1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is WWDLERZABVZABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-18-8-5-16(6-9-18)13-21(15-25)11-12-24(14-21)20-10-7-17-3-1-2-4-19(17)23-20/h1-10,25H,11-15H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 336.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-quinolin-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 126801946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).