3,5-dimethylisoquinoline-1-carboxylic acid

C12H11NO2 — CID 84670077

IUPAC3,5-dimethylisoquinoline-1-carboxylic acid
SMILESCc1cc2c(C)cccc2c(C(=O)O)n1
InChIInChI=1S/C12H11NO2/c1-7-4-3-5-9-10(7)6-8(2)13-11(9)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyDTRNNDHHXMMIMR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.55
Rot. Bonds1

About 3,5-dimethylisoquinoline-1-carboxylic acid

3,5-dimethylisoquinoline-1-carboxylic acid (PubChem CID 84670077) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3,5-dimethylisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethylisoquinoline-1-carboxylic acid
PubChem CID84670077
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3,5-dimethylisoquinoline-1-carboxylic acid
SMILESCc1cc2c(C)cccc2c(C(=O)O)n1
InChIInChI=1S/C12H11NO2/c1-7-4-3-5-9-10(7)6-8(2)13-11(9)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyDTRNNDHHXMMIMR-UHFFFAOYSA-N
XLogP2.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethylisoquinoline-1-carboxylic acid 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

1-chloro-3,5-dimethylisoquinoline
CID 88921604
7-chloro-3-methylisoquinoline-1-carboxylic acid
CID 84687227
carbonic acid;1-methylnaphthalene
CID 66808059
3,6-dimethylpyridine-2-carboxylic acid
CID 13209567
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
1-carboxy-3-propan-2-ylisoquinolin-5-olate
CID 54724039
5-methylquinazoline-2-carboxylic acid
CID 150199538
8-methylquinazoline-4-carboxylic acid
CID 124706584
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
iridium;phenanthridine-6-carboxylic acid
CID 59015465
methyl 3-methyl-5-nitroisoquinoline-1-carboxylate
CID 82572089
(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylisoquinoline-1-carboxylic acid?
The IUPAC name of 3,5-dimethylisoquinoline-1-carboxylic acid (CID 84670077) is 3,5-dimethylisoquinoline-1-carboxylic acid.
What is the SMILES notation for 3,5-dimethylisoquinoline-1-carboxylic acid?
The canonical SMILES for 3,5-dimethylisoquinoline-1-carboxylic acid is Cc1cc2c(C)cccc2c(C(=O)O)n1.
What is the InChIKey of 3,5-dimethylisoquinoline-1-carboxylic acid?
The InChIKey is DTRNNDHHXMMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-4-3-5-9-10(7)6-8(2)13-11(9)12(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethylisoquinoline-1-carboxylic acid?
3,5-dimethylisoquinoline-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylisoquinoline-1-carboxylic acid is sourced from PubChem (CID 84670077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).