4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione

C10H4ClF3N4O2 — CID 15087433

IUPAC4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione
SMILESO=c1[nH]c2cc(Cl)c3nc(C(F)(F)F)[nH]c3c2[nH]c1=O
InChIInChI=1S/C10H4ClF3N4O2/c11-2-1-3-5(16-8(20)7(19)15-3)6-4(2)17-9(18-6)10(12,13)14/h1H,(H,15,19)(H,16,20)(H,17,18)
InChIKeySMKWYUYTYASVLO-UHFFFAOYSA-N
MW304.62 g/mol
LogP1.76
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione

4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione (PubChem CID 15087433) has the molecular formula C10H4ClF3N4O2 and a molecular weight of 304.62 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione
PubChem CID15087433
Molecular FormulaC10H4ClF3N4O2
Molecular Weight304.62 g/mol
Exact Mass304.00
IUPAC Name4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione
SMILESO=c1[nH]c2cc(Cl)c3nc(C(F)(F)F)[nH]c3c2[nH]c1=O
InChIInChI=1S/C10H4ClF3N4O2/c11-2-1-3-5(16-8(20)7(19)15-3)6-4(2)17-9(18-6)10(12,13)14/h1H,(H,15,19)(H,16,20)(H,17,18)
InChIKeySMKWYUYTYASVLO-UHFFFAOYSA-N
XLogP1.76
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione (CID 15087433) is 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione is O=c1[nH]c2cc(Cl)c3nc(C(F)(F)F)[nH]c3c2[nH]c1=O.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione?
The InChIKey is SMKWYUYTYASVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4O2/c11-2-1-3-5(16-8(20)7(19)15-3)6-4(2)17-9(18-6)10(12,13)14/h1H,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione?
4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione has a molecular weight of 304.62 g/mol, XLogP of 1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-6,9-dihydro-1H-imidazo[4,5-f]quinoxaline-7,8-dione is sourced from PubChem (CID 15087433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).