4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid

C12H12N2O3 — CID 54588453

IUPAC4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
SMILESCOc1cccc2nc(C)c(C(=O)O)c(N)c12
InChIInChI=1S/C12H12N2O3/c1-6-9(12(15)16)11(13)10-7(14-6)4-3-5-8(10)17-2/h3-5H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyHBNHMCXPNFSGKN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.83
Rot. Bonds2

About 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid

4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid (PubChem CID 54588453) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
PubChem CID54588453
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
SMILESCOc1cccc2nc(C)c(C(=O)O)c(N)c12
InChIInChI=1S/C12H12N2O3/c1-6-9(12(15)16)11(13)10-7(14-6)4-3-5-8(10)17-2/h3-5H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyHBNHMCXPNFSGKN-UHFFFAOYSA-N
XLogP1.83
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-methoxy-2-methylquinoline-3-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid (CID 54588453) is 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid is COc1cccc2nc(C)c(C(=O)O)c(N)c12.
What is the InChIKey of 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid?
The InChIKey is HBNHMCXPNFSGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-9(12(15)16)11(13)10-7(14-6)4-3-5-8(10)17-2/h3-5H,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid?
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 54588453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).