[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol

C16H22N2O3 — CID 111469742

IUPAC[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol
SMILESCOCCOCCCNc1nc2ccccc2cc1CO
InChIInChI=1S/C16H22N2O3/c1-20-9-10-21-8-4-7-17-16-14(12-19)11-13-5-2-3-6-15(13)18-16/h2-3,5-6,11,19H,4,7-10,12H2,1H3,(H,17,18)
InChIKeyWARIZDQOHVGYGM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.19
Rot. Bonds9

About [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol

[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol (PubChem CID 111469742) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol
PubChem CID111469742
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol
SMILESCOCCOCCCNc1nc2ccccc2cc1CO
InChIInChI=1S/C16H22N2O3/c1-20-9-10-21-8-4-7-17-16-14(12-19)11-13-5-2-3-6-15(13)18-16/h2-3,5-6,11,19H,4,7-10,12H2,1H3,(H,17,18)
InChIKeyWARIZDQOHVGYGM-UHFFFAOYSA-N
XLogP2.19
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol?
The IUPAC name of [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol (CID 111469742) is [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol?
The canonical SMILES for [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol is COCCOCCCNc1nc2ccccc2cc1CO.
What is the InChIKey of [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol?
The InChIKey is WARIZDQOHVGYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-9-10-21-8-4-7-17-16-14(12-19)11-13-5-2-3-6-15(13)18-16/h2-3,5-6,11,19H,4,7-10,12H2,1H3,(H,17,18).
What are the key properties of [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol?
[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol has a molecular weight of 290.36 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol is sourced from PubChem (CID 111469742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).