4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

C12H8N2O3 — CID 12065084

IUPAC4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccccc3c12
InChIInChI=1S/C12H8N2O3/c15-11-10-9(7(5-13-10)12(16)17)6-3-1-2-4-8(6)14-11/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyATIJPNPQOFCHEJ-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.71
Rot. Bonds1

About 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid

4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (PubChem CID 12065084) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
PubChem CID12065084
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)[nH]c3ccccc3c12
InChIInChI=1S/C12H8N2O3/c15-11-10-9(7(5-13-10)12(16)17)6-3-1-2-4-8(6)14-11/h1-5,13H,(H,14,15)(H,16,17)
InChIKeyATIJPNPQOFCHEJ-UHFFFAOYSA-N
XLogP1.71
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The IUPAC name of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid (CID 12065084) is 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid.
What is the SMILES notation for 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The canonical SMILES for 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is O=C(O)c1c[nH]c2c(=O)[nH]c3ccccc3c12.
What is the InChIKey of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
The InChIKey is ATIJPNPQOFCHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-11-10-9(7(5-13-10)12(16)17)6-3-1-2-4-8(6)14-11/h1-5,13H,(H,14,15)(H,16,17).
What are the key properties of 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid?
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid has a molecular weight of 228.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid is sourced from PubChem (CID 12065084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).