4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid

C12H9N3O3 — CID 54119825

IUPAC4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid
SMILESO=C(O)C1C=Nc2c(ccc3ncccc23)N1O
InChIInChI=1S/C12H9N3O3/c16-12(17)10-6-14-11-7-2-1-5-13-8(7)3-4-9(11)15(10)18/h1-6,10,18H,(H,16,17)
InChIKeyNMWCFONGCNSPFX-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.60
Rot. Bonds1

About 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid

4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid (PubChem CID 54119825) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid
PubChem CID54119825
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid
SMILESO=C(O)C1C=Nc2c(ccc3ncccc23)N1O
InChIInChI=1S/C12H9N3O3/c16-12(17)10-6-14-11-7-2-1-5-13-8(7)3-4-9(11)15(10)18/h1-6,10,18H,(H,16,17)
InChIKeyNMWCFONGCNSPFX-UHFFFAOYSA-N
XLogP1.60
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate
CID 54118195
1-hydroxy-3-methyl-2H-imidazo[4,5-f]quinolin-2-amine
CID 22023709
6-(3,5-dimethylpiperidin-1-yl)quinolin-5-amine
CID 43809501
5-aminoquinoline-6-carboxylic acid
CID 13221190
6-(4-methylpiperidin-1-yl)quinolin-5-amine
CID 43809477
6-(3,4-dimethylpiperazin-1-yl)quinolin-5-amine
CID 63608727
1-tert-butyl-4-quinolin-5-ylpiperazine-2-carboxylic acid
CID 18414109
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine
CID 66393066
6-(4-ethylpiperazin-1-yl)quinolin-5-amine
CID 43809494
4-(5-aminoquinolin-6-yl)-1,4-diazepan-2-one
CID 65361303
(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347
2-(quinolin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 81007961

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid?
The IUPAC name of 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid (CID 54119825) is 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid is O=C(O)C1C=Nc2c(ccc3ncccc23)N1O.
What is the InChIKey of 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid?
The InChIKey is NMWCFONGCNSPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-12(17)10-6-14-11-7-2-1-5-13-8(7)3-4-9(11)15(10)18/h1-6,10,18H,(H,16,17).
What are the key properties of 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid?
4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylic acid is sourced from PubChem (CID 54119825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).