5-amino-4-methylisoquinoline-1-carboxylic acid

C11H10N2O2 — CID 82571670

IUPAC5-amino-4-methylisoquinoline-1-carboxylic acid
SMILESCc1cnc(C(=O)O)c2cccc(N)c12
InChIInChI=1S/C11H10N2O2/c1-6-5-13-10(11(14)15)7-3-2-4-8(12)9(6)7/h2-5H,12H2,1H3,(H,14,15)
InChIKeyMCZJXNNOVLLCJP-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.82
Rot. Bonds1

About 5-amino-4-methylisoquinoline-1-carboxylic acid

5-amino-4-methylisoquinoline-1-carboxylic acid (PubChem CID 82571670) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-amino-4-methylisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-methylisoquinoline-1-carboxylic acid
PubChem CID82571670
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-amino-4-methylisoquinoline-1-carboxylic acid
SMILESCc1cnc(C(=O)O)c2cccc(N)c12
InChIInChI=1S/C11H10N2O2/c1-6-5-13-10(11(14)15)7-3-2-4-8(12)9(6)7/h2-5H,12H2,1H3,(H,14,15)
InChIKeyMCZJXNNOVLLCJP-UHFFFAOYSA-N
XLogP1.82
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-4-methylisoquinoline-1-carbonyl)amino]acetic acid
CID 82571995
2-[(5-amino-4-methylisoquinolin-1-yl)amino]-3-hydroxypropanoic acid
CID 82570847
2-[(5-amino-4-methylisoquinolin-1-yl)amino]ethanol
CID 82570805
8-methylquinazoline-4-carboxylic acid
CID 124706584
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
4,5-dimethylpyridine-2,3-dicarboxylic acid
CID 53487983
4-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 68576718
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea
CID 54295225
[(5-amino-4-methylisoquinolin-1-yl)methylideneamino]-[amino(sulfoniumylidene)methyl]azanide;chlorocopper
CID 3963835
3,5-dimethylisoquinoline-1-carboxylic acid
CID 84670077
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665085

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methylisoquinoline-1-carboxylic acid?
The IUPAC name of 5-amino-4-methylisoquinoline-1-carboxylic acid (CID 82571670) is 5-amino-4-methylisoquinoline-1-carboxylic acid.
What is the SMILES notation for 5-amino-4-methylisoquinoline-1-carboxylic acid?
The canonical SMILES for 5-amino-4-methylisoquinoline-1-carboxylic acid is Cc1cnc(C(=O)O)c2cccc(N)c12.
What is the InChIKey of 5-amino-4-methylisoquinoline-1-carboxylic acid?
The InChIKey is MCZJXNNOVLLCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-6-5-13-10(11(14)15)7-3-2-4-8(12)9(6)7/h2-5H,12H2,1H3,(H,14,15).
What are the key properties of 5-amino-4-methylisoquinoline-1-carboxylic acid?
5-amino-4-methylisoquinoline-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methylisoquinoline-1-carboxylic acid is sourced from PubChem (CID 82571670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).