1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde

C13H8F3N3O2 — CID 15224977

IUPAC1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde
SMILESCc1c(C=O)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C13H8F3N3O2/c1-6-9(5-20)17-11-12(21)18-8-4-7(13(14,15)16)2-3-10(8)19(6)11/h2-5H,1H3,(H,18,21)
InChIKeyQPWYPCVZLVZGRH-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.32
Rot. Bonds1

About 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde

1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde (PubChem CID 15224977) has the molecular formula C13H8F3N3O2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde
PubChem CID15224977
Molecular FormulaC13H8F3N3O2
Molecular Weight295.22 g/mol
Exact Mass295.06
IUPAC Name1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde
SMILESCc1c(C=O)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C13H8F3N3O2/c1-6-9(5-20)17-11-12(21)18-8-4-7(13(14,15)16)2-3-10(8)19(6)11/h2-5H,1H3,(H,18,21)
InChIKeyQPWYPCVZLVZGRH-UHFFFAOYSA-N
XLogP2.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2H-tetrazol-5-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
CID 15224980
3-[3-methyl-4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]prop-2-enoic acid
CID 68705063
(E)-3-[2-methyl-4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]prop-2-enoic acid
CID 68703220
1-methyl-8-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 151888747
ethyl (E)-3-[4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]prop-2-enoate
CID 59198853
1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 15288233
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
[3-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]-1-hydroxypropyl]oxidanium
CID 143692588
3-methyl-6-(trifluoromethyl)quinoxaline-2-carbaldehyde
CID 87324786
3-[2-ethyl-3-methyl-4-oxo-7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-1-yl]propanoic acid
CID 59198926
3-prop-2-enyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 110491254

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde?
The IUPAC name of 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde (CID 15224977) is 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde.
What is the SMILES notation for 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde?
The canonical SMILES for 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde is Cc1c(C=O)nc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12.
What is the InChIKey of 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde?
The InChIKey is QPWYPCVZLVZGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2/c1-6-9(5-20)17-11-12(21)18-8-4-7(13(14,15)16)2-3-10(8)19(6)11/h2-5H,1H3,(H,18,21).
What are the key properties of 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde?
1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde has a molecular weight of 295.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carbaldehyde is sourced from PubChem (CID 15224977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).