5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine

C19H17F3N4 — CID 164580396

IUPAC5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine
SMILESCN1c2ccc(C(F)(F)F)cc2C(C)(C)c2nc3cc(N)ccc3nc21
InChIInChI=1S/C19H17F3N4/c1-18(2)12-8-10(19(20,21)22)4-7-15(12)26(3)17-16(18)24-14-9-11(23)5-6-13(14)25-17/h4-9H,23H2,1-3H3
InChIKeyDMCNICSHKBZFAW-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.64
Rot. Bonds

About 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine

5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine (PubChem CID 164580396) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine.

Molecular Properties

Compound Name5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine
PubChem CID164580396
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine
SMILESCN1c2ccc(C(F)(F)F)cc2C(C)(C)c2nc3cc(N)ccc3nc21
InChIInChI=1S/C19H17F3N4/c1-18(2)12-8-10(19(20,21)22)4-7-15(12)26(3)17-16(18)24-14-9-11(23)5-6-13(14)25-17/h4-9H,23H2,1-3H3
InChIKeyDMCNICSHKBZFAW-UHFFFAOYSA-N
XLogP4.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine?
The IUPAC name of 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine (CID 164580396) is 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine.
What is the SMILES notation for 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine?
The canonical SMILES for 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine is CN1c2ccc(C(F)(F)F)cc2C(C)(C)c2nc3cc(N)ccc3nc21.
What is the InChIKey of 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine?
The InChIKey is DMCNICSHKBZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c1-18(2)12-8-10(19(20,21)22)4-7-15(12)26(3)17-16(18)24-14-9-11(23)5-6-13(14)25-17/h4-9H,23H2,1-3H3.
What are the key properties of 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine?
5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine has a molecular weight of 358.37 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine is sourced from PubChem (CID 164580396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).