[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone

C21H18F2N4O2 — CID 10524781

IUPAC[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C21H18F2N4O2/c22-15-3-1-14(2-4-15)20-19-12-26(21(28)25-7-9-29-10-8-25)18-11-16(23)5-6-17(18)27(19)13-24-20/h1-6,11,13H,7-10,12H2
InChIKeyOTJAJONHEVXPKD-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.59
Rot. Bonds1

About [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone

[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone (PubChem CID 10524781) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone
PubChem CID10524781
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccc(F)cc21
InChIInChI=1S/C21H18F2N4O2/c22-15-3-1-14(2-4-15)20-19-12-26(21(28)25-7-9-29-10-8-25)18-11-16(23)5-6-17(18)27(19)13-24-20/h1-6,11,13H,7-10,12H2
InChIKeyOTJAJONHEVXPKD-UHFFFAOYSA-N
XLogP3.59
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone (CID 10524781) is [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccc(F)cc21.
What is the InChIKey of [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is OTJAJONHEVXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c22-15-3-1-14(2-4-15)20-19-12-26(21(28)25-7-9-29-10-8-25)18-11-16(23)5-6-17(18)27(19)13-24-20/h1-6,11,13H,7-10,12H2.
What are the key properties of [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone?
[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 396.40 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 10524781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).