2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid

C11H11NO5 — CID 121362535

IUPAC2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(c(O)cc1=O)C(=O)CCC2
InChIInChI=1S/C11H11NO5/c13-7-3-1-2-6-11(7)8(14)4-9(15)12(6)5-10(16)17/h4,14H,1-3,5H2,(H,16,17)
InChIKeyWAPWOOPFXWINAL-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.16
Rot. Bonds2

About 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid

2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid (PubChem CID 121362535) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid
PubChem CID121362535
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(c(O)cc1=O)C(=O)CCC2
InChIInChI=1S/C11H11NO5/c13-7-3-1-2-6-11(7)8(14)4-9(15)12(6)5-10(16)17/h4,14H,1-3,5H2,(H,16,17)
InChIKeyWAPWOOPFXWINAL-UHFFFAOYSA-N
XLogP0.16
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid (CID 121362535) is 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid is O=C(O)Cn1c2c(c(O)cc1=O)C(=O)CCC2.
What is the InChIKey of 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
The InChIKey is WAPWOOPFXWINAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-7-3-1-2-6-11(7)8(14)4-9(15)12(6)5-10(16)17/h4,14H,1-3,5H2,(H,16,17).
What are the key properties of 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid has a molecular weight of 237.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid is sourced from PubChem (CID 121362535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).