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

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Related Compounds

4-amino-2-methyl-5-(2-propylpentoxy)quinoline-3-carboxylic acid
CID 71815973
4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid
CID 56833188
4-amino-2-methyl-5-[2-methyl-2-(2-methylpropanoylamino)propoxy]quinoline-3-carboxylic acid
CID 66745721
4-amino-5-(2-benzamido-2-methylpropoxy)-2-methylquinoline-3-carboxylic acid
CID 54588745
4-amino-5-[2-[(3-methoxybenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588746
4-amino-5-[4-[[(2-methoxyacetyl)amino]methyl]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121318950
4-amino-2-methyl-5-[2-methyl-2-(pyridine-4-carbonylamino)propoxy]quinoline-3-carboxylic acid
CID 56833144
4-amino-5-[3-(cyclopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 66747375
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133
4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121328194
methyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 18326317
4-amino-5-[3-[(3-methoxyphenyl)methylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588682

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).