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

C11H11NO4 — CID 19985998

IUPAC2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C11H11NO4/c13-9-3-1-2-8-7(9)4-5-10(14)12(8)6-11(15)16/h4-5H,1-3,6H2,(H,15,16)
InChIKeyDJRBHXAQPHPPNB-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.45
Rot. Bonds2

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

2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid (PubChem CID 19985998) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid
PubChem CID19985998
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C11H11NO4/c13-9-3-1-2-8-7(9)4-5-10(14)12(8)6-11(15)16/h4-5H,1-3,6H2,(H,15,16)
InChIKeyDJRBHXAQPHPPNB-UHFFFAOYSA-N
XLogP0.45
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid
CID 81298541
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate
CID 81298681
2,5(1H,6H)-Quinolinedione, 7,8-dihydro-1-propyl-
CID 10013187
5,6,7,8-tetrahydro-5-oxo-1-(2-propenyl)-2(1H)-quinolinone
CID 10330512
1-(2-Hydroxyethyl)-3-methyl-7,8-dihydro-2,5(1H.6H)-quinolinedione
CID 15924253
1-Methoxycarbonylmethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 19986002
1-(2-hydroxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 19986011
2-(2-Oxo-5,6,7,8-tetrahydroquinolin-1(2H)-yl)acetic acid
CID 21493804
2-(2-Oxo-3,4,5,6-tetrahydroquinolin-1-yl)acetic acid
CID 68062989
2-(4-hydroxy-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid
CID 121362535
2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetic acid
CID 71697267

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
The IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid (CID 19985998) is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid is O=C(O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
The InChIKey is DJRBHXAQPHPPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-3-1-2-8-7(9)4-5-10(14)12(8)6-11(15)16/h4-5H,1-3,6H2,(H,15,16).
What are the key properties of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid?
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid has a molecular weight of 221.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetic acid is sourced from PubChem (CID 19985998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).