5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

C16H20N2O2 — CID 689261

IUPAC5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESCOCc1cc(CN2CCCC2)c(O)c2ncccc12
InChIInChI=1S/C16H20N2O2/c1-20-11-13-9-12(10-18-7-2-3-8-18)16(19)15-14(13)5-4-6-17-15/h4-6,9,19H,2-3,7-8,10-11H2,1H3
InChIKeyXMPOUVCCDJLNPZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.68
Rot. Bonds4

About 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (PubChem CID 689261) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
PubChem CID689261
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESCOCc1cc(CN2CCCC2)c(O)c2ncccc12
InChIInChI=1S/C16H20N2O2/c1-20-11-13-9-12(10-18-7-2-3-8-18)16(19)15-14(13)5-4-6-17-15/h4-6,9,19H,2-3,7-8,10-11H2,1H3
InChIKeyXMPOUVCCDJLNPZ-UHFFFAOYSA-N
XLogP2.68
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (CID 689261) is 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is COCc1cc(CN2CCCC2)c(O)c2ncccc12.
What is the InChIKey of 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is XMPOUVCCDJLNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-11-13-9-12(10-18-7-2-3-8-18)16(19)15-14(13)5-4-6-17-15/h4-6,9,19H,2-3,7-8,10-11H2,1H3.
What are the key properties of 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 272.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 689261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).