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

C12H11NO3 — CID 16765276

IUPAC2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid
SMILESCc1cc(=O)[nH]c2ccc(CC(=O)O)cc12
InChIInChI=1S/C12H11NO3/c1-7-4-11(14)13-10-3-2-8(5-9(7)10)6-12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDFXDYPDRZDFRDI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.46
Rot. Bonds2

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

2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid (PubChem CID 16765276) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid
PubChem CID16765276
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid
SMILESCc1cc(=O)[nH]c2ccc(CC(=O)O)cc12
InChIInChI=1S/C12H11NO3/c1-7-4-11(14)13-10-3-2-8(5-9(7)10)6-12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDFXDYPDRZDFRDI-UHFFFAOYSA-N
XLogP1.46
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid?
The IUPAC name of 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid (CID 16765276) is 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid is Cc1cc(=O)[nH]c2ccc(CC(=O)O)cc12.
What is the InChIKey of 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid?
The InChIKey is DFXDYPDRZDFRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-4-11(14)13-10-3-2-8(5-9(7)10)6-12(15)16/h2-5H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid?
2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1H-quinolin-6-yl)acetic acid is sourced from PubChem (CID 16765276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).