(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine

C16H7F3N3O- — CID 155554480

IUPAC(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine
SMILES[O-]/N=C1/c2ccccc2-c2nc3ccc(C(F)(F)F)cc3nc21
InChIInChI=1S/C16H8F3N3O/c17-16(18,19)8-5-6-11-12(7-8)21-15-13(20-11)9-3-1-2-4-10(9)14(15)22-23/h1-7,23H/p-1/b22-14-
InChIKeyADYJTBFUKDHWQM-HMAPJEAMSA-M
MW314.25 g/mol
LogP3.96
Rot. Bonds

About (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine

(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine (PubChem CID 155554480) has the molecular formula C16H7F3N3O- and a molecular weight of 314.25 g/mol. Its IUPAC name is (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine.

Molecular Properties

Compound Name(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine
PubChem CID155554480
Molecular FormulaC16H7F3N3O-
Molecular Weight314.25 g/mol
Exact Mass314.05
IUPAC Name(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine
SMILES[O-]/N=C1/c2ccccc2-c2nc3ccc(C(F)(F)F)cc3nc21
InChIInChI=1S/C16H8F3N3O/c17-16(18,19)8-5-6-11-12(7-8)21-15-13(20-11)9-3-1-2-4-10(9)14(15)22-23/h1-7,23H/p-1/b22-14-
InChIKeyADYJTBFUKDHWQM-HMAPJEAMSA-M
XLogP3.96
TPSA61.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(trifluoromethyl)-1,9,16-triazaoctacyclo[16.10.1.02,7.03,27.08,17.010,15.022,29.023,28]nonacosa-2,4,6,8,10(15),11,13,16,18,20,22(29),23(28),24,26-tetradecaene
CID 164673252
16-methyl-6,27-bis(trifluoromethyl)-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene
CID 126608669
2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-(fluoromethyl)-3-phenylquinoxaline
CID 118672012
2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 59800544
(2E)-2-[7,8-bis[4-(trifluoromethyl)phenyl]indeno[1,2-b]quinoxalin-11-ylidene]-2-isocyanoacetonitrile
CID 59194421
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N-isocyanoindeno[1,2-b]pyrazin-9-imine;4-[(9E)-9-isocyanoiminoindeno[1,2-b]pyrazin-2-yl]benzonitrile;4-[(9E)-9-isocyanoiminoindeno[1,2-b]pyrazin-3-yl]benzonitrile;(E)-N-isocyano-7-[4-(trifluoromethyl)phenyl]indeno[1,2-b]quinoxalin-11-imine;(E)-N-isocyano-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]quinoxalin-11-imine
CID 172982903
2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 100921636
3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine
CID 10880955
7-methylindeno[1,2-b]quinoxalin-11-one
CID 2799070
7-fluoroindeno[1,2-b]quinoxalin-11-one
CID 122192565
2-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;2-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;3-(2-fluorophenyl)-6-[3-(2-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(3-fluorophenyl)-6-[3-(3-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;3-(4-fluorophenyl)-6-[3-(4-fluorophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline;2-phenyl-6-[3-phenyl-2-[3-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[3-(trifluoromethyl)phenyl]quinoxaline;2-phenyl-6-[3-phenyl-2-[4-(trifluoromethyl)phenyl]quinoxalin-6-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 158181187
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066

Frequently Asked Questions

What is the IUPAC name of (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine?
The IUPAC name of (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine (CID 155554480) is (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine.
What is the SMILES notation for (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine?
The canonical SMILES for (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine is [O-]/N=C1/c2ccccc2-c2nc3ccc(C(F)(F)F)cc3nc21.
What is the InChIKey of (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine?
The InChIKey is ADYJTBFUKDHWQM-HMAPJEAMSA-M. The full InChI is InChI=1S/C16H8F3N3O/c17-16(18,19)8-5-6-11-12(7-8)21-15-13(20-11)9-3-1-2-4-10(9)14(15)22-23/h1-7,23H/p-1/b22-14-.
What are the key properties of (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine?
(Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine has a molecular weight of 314.25 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-oxido-8-(trifluoromethyl)indeno[1,2-b]quinoxalin-11-imine is sourced from PubChem (CID 155554480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).