[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol

C16H16N2O2 — CID 106767996

IUPAC[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
SMILESCN(Cc1ccco1)c1ncc(CO)c2ccccc12
InChIInChI=1S/C16H16N2O2/c1-18(10-13-5-4-8-20-13)16-15-7-3-2-6-14(15)12(11-19)9-17-16/h2-9,19H,10-11H2,1H3
InChIKeyITAPUHSUMTWILF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.96
Rot. Bonds4

About [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol

[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol (PubChem CID 106767996) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
PubChem CID106767996
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
SMILESCN(Cc1ccco1)c1ncc(CO)c2ccccc12
InChIInChI=1S/C16H16N2O2/c1-18(10-13-5-4-8-20-13)16-15-7-3-2-6-14(15)12(11-19)9-17-16/h2-9,19H,10-11H2,1H3
InChIKeyITAPUHSUMTWILF-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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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61255618
[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol
CID 106768222
[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920233
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
CID 106768318
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
CID 106768377
[6-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61256036
N-(furan-2-ylmethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 65418233
3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine
CID 62299114
3-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 55211030
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
CID 83186463
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235248

Frequently Asked Questions

What is the IUPAC name of [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol?
The IUPAC name of [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol (CID 106767996) is [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol?
The canonical SMILES for [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol is CN(Cc1ccco1)c1ncc(CO)c2ccccc12.
What is the InChIKey of [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol?
The InChIKey is ITAPUHSUMTWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(10-13-5-4-8-20-13)16-15-7-3-2-6-14(15)12(11-19)9-17-16/h2-9,19H,10-11H2,1H3.
What are the key properties of [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol?
[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-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 [1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol is sourced from PubChem (CID 106767996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).