(3-methylisoquinolin-1-yl)methanol

C11H11NO — CID 82576357

IUPAC(3-methylisoquinolin-1-yl)methanol
SMILESCc1cc2ccccc2c(CO)n1
InChIInChI=1S/C11H11NO/c1-8-6-9-4-2-3-5-10(9)11(7-13)12-8/h2-6,13H,7H2,1H3
InChIKeyHUNPPJJHMYNTBY-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.04
Rot. Bonds1

About (3-methylisoquinolin-1-yl)methanol

(3-methylisoquinolin-1-yl)methanol (PubChem CID 82576357) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (3-methylisoquinolin-1-yl)methanol.

Molecular Properties

Compound Name(3-methylisoquinolin-1-yl)methanol
PubChem CID82576357
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(3-methylisoquinolin-1-yl)methanol
SMILESCc1cc2ccccc2c(CO)n1
InChIInChI=1S/C11H11NO/c1-8-6-9-4-2-3-5-10(9)11(7-13)12-8/h2-6,13H,7H2,1H3
InChIKeyHUNPPJJHMYNTBY-UHFFFAOYSA-N
XLogP2.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methylisoquinolin-1-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine
CID 82577228
1-methoxy-3-methylisoquinoline
CID 66489764
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087924
3-methyl-1-prop-1-enylisoquinoline
CID 131885557
3-methylisoquinoline-1-carboximidamide
CID 82573405
3-methyl-4-[methyl-[[4-[(3-methylisoquinolin-1-yl)methyl]phenyl]methyl]amino]cyclobut-3-ene-1,2-dione
CID 21345827
(1-methylnaphthalen-2-yl)methanol
CID 15054223
1-(4-iodophenyl)-3-methylisoquinoline
CID 19601654
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
benzo[a]anthracen-8-ylmethanol
CID 25090609

Frequently Asked Questions

What is the IUPAC name of (3-methylisoquinolin-1-yl)methanol?
The IUPAC name of (3-methylisoquinolin-1-yl)methanol (CID 82576357) is (3-methylisoquinolin-1-yl)methanol.
What is the SMILES notation for (3-methylisoquinolin-1-yl)methanol?
The canonical SMILES for (3-methylisoquinolin-1-yl)methanol is Cc1cc2ccccc2c(CO)n1.
What is the InChIKey of (3-methylisoquinolin-1-yl)methanol?
The InChIKey is HUNPPJJHMYNTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-6-9-4-2-3-5-10(9)11(7-13)12-8/h2-6,13H,7H2,1H3.
What are the key properties of (3-methylisoquinolin-1-yl)methanol?
(3-methylisoquinolin-1-yl)methanol has a molecular weight of 173.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylisoquinolin-1-yl)methanol is sourced from PubChem (CID 82576357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).