[4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol

C17H16N2O — CID 58757233

IUPAC[4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2nccc3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c20-12-14-7-5-13(6-8-14)11-19-17-16-4-2-1-3-15(16)9-10-18-17/h1-10,20H,11-12H2,(H,18,19)
InChIKeyAUEXCAQRCCSYEK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.34
Rot. Bonds4

About [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol

[4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol (PubChem CID 58757233) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol
PubChem CID58757233
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name[4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNc2nccc3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c20-12-14-7-5-13(6-8-14)11-19-17-16-4-2-1-3-15(16)9-10-18-17/h1-10,20H,11-12H2,(H,18,19)
InChIKeyAUEXCAQRCCSYEK-UHFFFAOYSA-N
XLogP3.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol (CID 58757233) is [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol is OCc1ccc(CNc2nccc3ccccc23)cc1.
What is the InChIKey of [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol?
The InChIKey is AUEXCAQRCCSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-12-14-7-5-13(6-8-14)11-19-17-16-4-2-1-3-15(16)9-10-18-17/h1-10,20H,11-12H2,(H,18,19).
What are the key properties of [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol?
[4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol has a molecular weight of 264.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(isoquinolin-1-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 58757233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).