2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid

C12H12N2O3 — CID 115038738

IUPAC2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
SMILESCc1ccc2[nH]c(=O)c(N)c(CC(=O)O)c2c1
InChIInChI=1S/C12H12N2O3/c1-6-2-3-9-7(4-6)8(5-10(15)16)11(13)12(17)14-9/h2-4H,5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyAJEBUIMDIHSXCS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.05
Rot. Bonds2

About 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid

2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid (PubChem CID 115038738) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
PubChem CID115038738
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
SMILESCc1ccc2[nH]c(=O)c(N)c(CC(=O)O)c2c1
InChIInChI=1S/C12H12N2O3/c1-6-2-3-9-7(4-6)8(5-10(15)16)11(13)12(17)14-9/h2-4H,5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyAJEBUIMDIHSXCS-UHFFFAOYSA-N
XLogP1.05
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid (CID 115038738) is 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid is Cc1ccc2[nH]c(=O)c(N)c(CC(=O)O)c2c1.
What is the InChIKey of 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid?
The InChIKey is AJEBUIMDIHSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6-2-3-9-7(4-6)8(5-10(15)16)11(13)12(17)14-9/h2-4H,5,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid?
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 115038738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).