5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde

C12H11NO2 — CID 84670071

IUPAC5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde
SMILESCc1cc2c(O)c(C=O)ccc2c(C)n1
InChIInChI=1S/C12H11NO2/c1-7-5-11-10(8(2)13-7)4-3-9(6-14)12(11)15/h3-6,15H,1-2H3
InChIKeyDURIDHORPBKEEW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.37
Rot. Bonds1

About 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde

5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde (PubChem CID 84670071) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde
PubChem CID84670071
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde
SMILESCc1cc2c(O)c(C=O)ccc2c(C)n1
InChIInChI=1S/C12H11NO2/c1-7-5-11-10(8(2)13-7)4-3-9(6-14)12(11)15/h3-6,15H,1-2H3
InChIKeyDURIDHORPBKEEW-UHFFFAOYSA-N
XLogP2.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde 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

5-methoxy-1,3-dimethylisoquinoline-6-carbaldehyde
CID 84681062
1-hydroxy-6-methylnaphthalene-2-carbaldehyde
CID 90141664
3-methoxy-2,6-dimethylpyridine-4-carbaldehyde
CID 84652102
2,6-dimethylnaphthalen-1-ol;1-hydroxy-6-methylnaphthalene-2-carbaldehyde
CID 159879236
2,7,8-trimethylquinoline-4-carbaldehyde
CID 82448404
3-hydroxybenzene-1,2,4-tricarbaldehyde
CID 170942140
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
2,5-dimethylquinoline-3-carbaldehyde
CID 163549311
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
5-bromo-1,3-dimethylisoquinoline
CID 58093537
4-hydroxy-2-prop-1-en-2-yl-1-benzofuran-5-carbaldehyde
CID 10878218
[difluoro-(6-formyl-5-hydroxynaphthalen-2-yl)methyl]phosphonic acid
CID 71419605

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde?
The IUPAC name of 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde (CID 84670071) is 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde.
What is the SMILES notation for 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde?
The canonical SMILES for 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde is Cc1cc2c(O)c(C=O)ccc2c(C)n1.
What is the InChIKey of 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde?
The InChIKey is DURIDHORPBKEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-5-11-10(8(2)13-7)4-3-9(6-14)12(11)15/h3-6,15H,1-2H3.
What are the key properties of 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde?
5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-dimethylisoquinoline-6-carbaldehyde is sourced from PubChem (CID 84670071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).