2-(8-methyl-2-oxoquinolin-1-yl)acetic acid

C12H11NO3 — CID 83521641

IUPAC2-(8-methyl-2-oxoquinolin-1-yl)acetic acid
SMILESCc1cccc2ccc(=O)n(CC(=O)O)c12
InChIInChI=1S/C12H11NO3/c1-8-3-2-4-9-5-6-10(14)13(12(8)9)7-11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyACJKWPKYOGJDEJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.39
Rot. Bonds2

About 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid

2-(8-methyl-2-oxoquinolin-1-yl)acetic acid (PubChem CID 83521641) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methyl-2-oxoquinolin-1-yl)acetic acid
PubChem CID83521641
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(8-methyl-2-oxoquinolin-1-yl)acetic acid
SMILESCc1cccc2ccc(=O)n(CC(=O)O)c12
InChIInChI=1S/C12H11NO3/c1-8-3-2-4-9-5-6-10(14)13(12(8)9)7-11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyACJKWPKYOGJDEJ-UHFFFAOYSA-N
XLogP1.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid (CID 83521641) is 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid is Cc1cccc2ccc(=O)n(CC(=O)O)c12.
What is the InChIKey of 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid?
The InChIKey is ACJKWPKYOGJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-3-2-4-9-5-6-10(14)13(12(8)9)7-11(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid?
2-(8-methyl-2-oxoquinolin-1-yl)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2-oxoquinolin-1-yl)acetic acid is sourced from PubChem (CID 83521641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).