6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine

C23H16F6N4 — CID 5053700

IUPAC6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
SMILESCc1ccc2nc(Nc3cccc(C(F)(F)F)c3)c(Nc3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C23H16F6N4/c1-13-8-9-18-19(10-13)33-21(31-17-7-3-5-15(12-17)23(27,28)29)20(32-18)30-16-6-2-4-14(11-16)22(24,25)26/h2-12H,1H3,(H,30,32)(H,31,33)
InChIKeyRBDKMTANTAOVSE-UHFFFAOYSA-N
MW462.40 g/mol
LogP7.46
Rot. Bonds4

About 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine

6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine (PubChem CID 5053700) has the molecular formula C23H16F6N4 and a molecular weight of 462.40 g/mol. Its IUPAC name is 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
PubChem CID5053700
Molecular FormulaC23H16F6N4
Molecular Weight462.40 g/mol
Exact Mass462.13
IUPAC Name6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
SMILESCc1ccc2nc(Nc3cccc(C(F)(F)F)c3)c(Nc3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C23H16F6N4/c1-13-8-9-18-19(10-13)33-21(31-17-7-3-5-15(12-17)23(27,28)29)20(32-18)30-16-6-2-4-14(11-16)22(24,25)26/h2-12H,1H3,(H,30,32)(H,31,33)
InChIKeyRBDKMTANTAOVSE-UHFFFAOYSA-N
XLogP7.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-nitro-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 3094160
6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 141366646
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-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768832
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
4-[[3-(4-hydroxyanilino)-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenol
CID 136938461
5-methyl-2-N-propan-2-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 143939193
N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003598
4-methyl-3-[3-(trifluoromethyl)anilino]-1H-pyridazin-6-one
CID 54766055
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine?
The IUPAC name of 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine (CID 5053700) is 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine?
The canonical SMILES for 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine is Cc1ccc2nc(Nc3cccc(C(F)(F)F)c3)c(Nc3cccc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine?
The InChIKey is RBDKMTANTAOVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N4/c1-13-8-9-18-19(10-13)33-21(31-17-7-3-5-15(12-17)23(27,28)29)20(32-18)30-16-6-2-4-14(11-16)22(24,25)26/h2-12H,1H3,(H,30,32)(H,31,33).
What are the key properties of 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine?
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine has a molecular weight of 462.40 g/mol, XLogP of 7.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 5053700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).