4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid

C11H7FN4O2 — CID 171783411

IUPAC4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)c(F)c2n2cncc12
InChIInChI=1S/C11H7FN4O2/c12-8-5(11(17)18)1-2-6-9(8)16-4-14-3-7(16)10(13)15-6/h1-4H,(H2,13,15)(H,17,18)
InChIKeyABJPFDJPDLRRPT-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.30
Rot. Bonds1

About 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid

4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid (PubChem CID 171783411) has the molecular formula C11H7FN4O2 and a molecular weight of 246.20 g/mol. Its IUPAC name is 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid.

Molecular Properties

Compound Name4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
PubChem CID171783411
Molecular FormulaC11H7FN4O2
Molecular Weight246.20 g/mol
Exact Mass246.06
IUPAC Name4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)c(F)c2n2cncc12
InChIInChI=1S/C11H7FN4O2/c12-8-5(11(17)18)1-2-6-9(8)16-4-14-3-7(16)10(13)15-6/h1-4H,(H2,13,15)(H,17,18)
InChIKeyABJPFDJPDLRRPT-UHFFFAOYSA-N
XLogP1.30
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-dimethoxyphenyl)methylamino]-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
CID 175572779
2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7,12-diamine
CID 139908093
3-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653967
4-amino-1-bromoimidazo[1,5-a]quinoxaline-8-carboxylic acid
CID 171487754
(4-amino-7-fluoroimidazo[1,5-a]quinoxalin-8-yl)-[(4aR)-7-(trifluoromethyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-1-yl]methanone
CID 172507081
4-fluoro-2,3-dimethylindazole-5-carboxylic acid
CID 117110305
8-fluoro-5-(3-fluorophenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 58515993
7-fluoro-2-methylindazole-6-carboxylic acid
CID 105447800
4-amino-2-tert-butyl-3-fluorobenzoic acid
CID 118007713
3-amino-2-fluoro-4-iodobenzoic acid
CID 131563992
2-amino-4-fluoropyrimidine-5-carboxylic acid
CID 90011731
8-[(2-amino-3-fluoro-4-pyridinyl)methyl]-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 163538976

Frequently Asked Questions

What is the IUPAC name of 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
The IUPAC name of 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid (CID 171783411) is 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid.
What is the SMILES notation for 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
The canonical SMILES for 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid is Nc1nc2ccc(C(=O)O)c(F)c2n2cncc12.
What is the InChIKey of 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
The InChIKey is ABJPFDJPDLRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O2/c12-8-5(11(17)18)1-2-6-9(8)16-4-14-3-7(16)10(13)15-6/h1-4H,(H2,13,15)(H,17,18).
What are the key properties of 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid has a molecular weight of 246.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 171783411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).