4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid

C20H17FN4O4 — CID 171783402

IUPAC4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
SMILESCOc1ccc(CNc2nc3cc(F)c(C(=O)O)cc3n3cncc23)c(OC)c1
InChIInChI=1S/C20H17FN4O4/c1-28-12-4-3-11(18(5-12)29-2)8-23-19-17-9-22-10-25(17)16-6-13(20(26)27)14(21)7-15(16)24-19/h3-7,9-10H,8H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyNQBSZUNUZCPXBV-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.35
Rot. Bonds6

About 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid

4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid (PubChem CID 171783402) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
PubChem CID171783402
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid
SMILESCOc1ccc(CNc2nc3cc(F)c(C(=O)O)cc3n3cncc23)c(OC)c1
InChIInChI=1S/C20H17FN4O4/c1-28-12-4-3-11(18(5-12)29-2)8-23-19-17-9-22-10-25(17)16-6-13(20(26)27)14(21)7-15(16)24-19/h3-7,9-10H,8H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyNQBSZUNUZCPXBV-UHFFFAOYSA-N
XLogP3.35
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid (CID 171783402) is 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid is COc1ccc(CNc2nc3cc(F)c(C(=O)O)cc3n3cncc23)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
The InChIKey is NQBSZUNUZCPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-28-12-4-3-11(18(5-12)29-2)8-23-19-17-9-22-10-25(17)16-6-13(20(26)27)14(21)7-15(16)24-19/h3-7,9-10H,8H2,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid?
4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid has a molecular weight of 396.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,5-a]quinoxaline-8-carboxylic acid is sourced from PubChem (CID 171783402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).