[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol

C16H16N2O2 — CID 63376321

IUPAC[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol
SMILESCN(Cc1ccoc1)c1cc(CO)nc2ccccc12
InChIInChI=1S/C16H16N2O2/c1-18(9-12-6-7-20-11-12)16-8-13(10-19)17-15-5-3-2-4-14(15)16/h2-8,11,19H,9-10H2,1H3
InChIKeyXSQHGPQGVASCGL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.96
Rot. Bonds4

About [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol

[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol (PubChem CID 63376321) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol
PubChem CID63376321
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol
SMILESCN(Cc1ccoc1)c1cc(CO)nc2ccccc12
InChIInChI=1S/C16H16N2O2/c1-18(9-12-6-7-20-11-12)16-8-13(10-19)17-15-5-3-2-4-14(15)16/h2-8,11,19H,9-10H2,1H3
InChIKeyXSQHGPQGVASCGL-UHFFFAOYSA-N
XLogP2.96
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol?
The IUPAC name of [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol (CID 63376321) is [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol.
What is the SMILES notation for [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol?
The canonical SMILES for [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol is CN(Cc1ccoc1)c1cc(CO)nc2ccccc12.
What is the InChIKey of [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol?
The InChIKey is XSQHGPQGVASCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(9-12-6-7-20-11-12)16-8-13(10-19)17-15-5-3-2-4-14(15)16/h2-8,11,19H,9-10H2,1H3.
What are the key properties of [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol?
[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol has a molecular weight of 268.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol is sourced from PubChem (CID 63376321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).