7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline

C21H21FN2O — CID 22054474

IUPAC7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(COc3ccc(F)cc3)cc2n1
InChIInChI=1S/C21H21FN2O/c1-15-12-21(24-10-2-3-11-24)19-9-4-16(13-20(19)23-15)14-25-18-7-5-17(22)6-8-18/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKeyZKAIWVFOSMRDEE-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.86
Rot. Bonds4

About 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline

7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline (PubChem CID 22054474) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline
PubChem CID22054474
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2ccc(COc3ccc(F)cc3)cc2n1
InChIInChI=1S/C21H21FN2O/c1-15-12-21(24-10-2-3-11-24)19-9-4-16(13-20(19)23-15)14-25-18-7-5-17(22)6-8-18/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKeyZKAIWVFOSMRDEE-UHFFFAOYSA-N
XLogP4.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline (CID 22054474) is 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)c2ccc(COc3ccc(F)cc3)cc2n1.
What is the InChIKey of 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline?
The InChIKey is ZKAIWVFOSMRDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-15-12-21(24-10-2-3-11-24)19-9-4-16(13-20(19)23-15)14-25-18-7-5-17(22)6-8-18/h4-9,12-13H,2-3,10-11,14H2,1H3.
What are the key properties of 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline?
7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline has a molecular weight of 336.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenoxy)methyl]-2-methyl-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 22054474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).