[3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol

C16H21N3O2 — CID 11243170

IUPAC[3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol
SMILESCN1CCN(c2nc3ccccc3c(CO)c2CO)CC1
InChIInChI=1S/C16H21N3O2/c1-18-6-8-19(9-7-18)16-14(11-21)13(10-20)12-4-2-3-5-15(12)17-16/h2-5,20-21H,6-11H2,1H3
InChIKeyDCXSOQRAMDIVBH-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.97
Rot. Bonds3

About [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol

[3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol (PubChem CID 11243170) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol
PubChem CID11243170
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol
SMILESCN1CCN(c2nc3ccccc3c(CO)c2CO)CC1
InChIInChI=1S/C16H21N3O2/c1-18-6-8-19(9-7-18)16-14(11-21)13(10-20)12-4-2-3-5-15(12)17-16/h2-5,20-21H,6-11H2,1H3
InChIKeyDCXSOQRAMDIVBH-UHFFFAOYSA-N
XLogP0.97
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol (CID 11243170) is [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol is CN1CCN(c2nc3ccccc3c(CO)c2CO)CC1.
What is the InChIKey of [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol?
The InChIKey is DCXSOQRAMDIVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-6-8-19(9-7-18)16-14(11-21)13(10-20)12-4-2-3-5-15(12)17-16/h2-5,20-21H,6-11H2,1H3.
What are the key properties of [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol?
[3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2-(4-methylpiperazin-1-yl)quinolin-4-yl]methanol is sourced from PubChem (CID 11243170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).