3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

C17H13FN4O — CID 10638502

IUPAC3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESNC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C17H13FN4O/c18-12-7-5-11(6-8-12)16-15-9-21(17(19)23)13-3-1-2-4-14(13)22(15)10-20-16/h1-8,10H,9H2,(H2,19,23)
InChIKeyQHZFFVJDRZPYTQ-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.08
Rot. Bonds1

About 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 10638502) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID10638502
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESNC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21
InChIInChI=1S/C17H13FN4O/c18-12-7-5-11(6-8-12)16-15-9-21(17(19)23)13-3-1-2-4-14(13)22(15)10-20-16/h1-8,10H,9H2,(H2,19,23)
InChIKeyQHZFFVJDRZPYTQ-UHFFFAOYSA-N
XLogP3.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 10638502) is 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is NC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is QHZFFVJDRZPYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-12-7-5-11(6-8-12)16-15-9-21(17(19)23)13-3-1-2-4-14(13)22(15)10-20-16/h1-8,10H,9H2,(H2,19,23).
What are the key properties of 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 308.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 10638502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).