[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol

C21H22N2O2 — CID 78129978

IUPAC[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol
SMILESCOc1ccc(-c2cc(C(O)C3CCCN3)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-15-10-8-14(9-11-15)20-13-17(21(24)19-7-4-12-22-19)16-5-2-3-6-18(16)23-20/h2-3,5-6,8-11,13,19,21-22,24H,4,7,12H2,1H3
InChIKeyNMWWBYBPSOAXLW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.70
Rot. Bonds4

About [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol

[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol (PubChem CID 78129978) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol
PubChem CID78129978
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol
SMILESCOc1ccc(-c2cc(C(O)C3CCCN3)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-15-10-8-14(9-11-15)20-13-17(21(24)19-7-4-12-22-19)16-5-2-3-6-18(16)23-20/h2-3,5-6,8-11,13,19,21-22,24H,4,7,12H2,1H3
InChIKeyNMWWBYBPSOAXLW-UHFFFAOYSA-N
XLogP3.70
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol?
The IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol (CID 78129978) is [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol.
What is the SMILES notation for [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol?
The canonical SMILES for [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol is COc1ccc(-c2cc(C(O)C3CCCN3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol?
The InChIKey is NMWWBYBPSOAXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-15-10-8-14(9-11-15)20-13-17(21(24)19-7-4-12-22-19)16-5-2-3-6-18(16)23-20/h2-3,5-6,8-11,13,19,21-22,24H,4,7,12H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol?
[2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol has a molecular weight of 334.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)quinolin-4-yl]-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 78129978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).