2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid

C12H11NO4 — CID 84696464

IUPAC2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2c(O)cccc2c(=O)c1CC(=O)O
InChIInChI=1S/C12H11NO4/c1-6-8(5-10(15)16)12(17)7-3-2-4-9(14)11(7)13-6/h2-4,14H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyCEWFQLNUURBMKE-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.17
Rot. Bonds2

About 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid

2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid (PubChem CID 84696464) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
PubChem CID84696464
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2c(O)cccc2c(=O)c1CC(=O)O
InChIInChI=1S/C12H11NO4/c1-6-8(5-10(15)16)12(17)7-3-2-4-9(14)11(7)13-6/h2-4,14H,5H2,1H3,(H,13,17)(H,15,16)
InChIKeyCEWFQLNUURBMKE-UHFFFAOYSA-N
XLogP1.17
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid (CID 84696464) is 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid is Cc1[nH]c2c(O)cccc2c(=O)c1CC(=O)O.
What is the InChIKey of 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The InChIKey is CEWFQLNUURBMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-6-8(5-10(15)16)12(17)7-3-2-4-9(14)11(7)13-6/h2-4,14H,5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid?
2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxy-2-methyl-4-oxo-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 84696464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).