N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline

C16H11F3N4O — CID 172930208

IUPACN-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccc(N/N=C/c2ccc3nccnc3c2)cc1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)24-13-4-2-12(3-5-13)23-22-10-11-1-6-14-15(9-11)21-8-7-20-14/h1-10,23H/b22-10+
InChIKeyVAXIOCOFIQBBQW-LSHDLFTRSA-N
MW332.29 g/mol
LogP3.97
Rot. Bonds4

About N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline

N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline (PubChem CID 172930208) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline
PubChem CID172930208
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC NameN-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccc(N/N=C/c2ccc3nccnc3c2)cc1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)24-13-4-2-12(3-5-13)23-22-10-11-1-6-14-15(9-11)21-8-7-20-14/h1-10,23H/b22-10+
InChIKeyVAXIOCOFIQBBQW-LSHDLFTRSA-N
XLogP3.97
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 175279468
4-bromo-N-[(E)-quinoxalin-6-ylmethylideneamino]aniline
CID 174698700
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
CID 67519187
2-fluoro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 174698734
2,4,6-trichloro-N-(quinoxalin-6-ylmethylideneamino)aniline
CID 4316664
N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169383769
N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384149
N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382672
N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169382931
N-(methylideneamino)-4-(trifluoromethoxy)aniline
CID 155060711
N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide
CID 68709153
4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
CID 174960191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline (CID 172930208) is N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline is FC(F)(F)Oc1ccc(N/N=C/c2ccc3nccnc3c2)cc1.
What is the InChIKey of N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline?
The InChIKey is VAXIOCOFIQBBQW-LSHDLFTRSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-16(18,19)24-13-4-2-12(3-5-13)23-22-10-11-1-6-14-15(9-11)21-8-7-20-14/h1-10,23H/b22-10+.
What are the key properties of N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline?
N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline has a molecular weight of 332.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-quinoxalin-6-ylmethylideneamino]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 172930208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).