N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine

C13H14F3N3 — CID 163489310

IUPACN-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine
SMILESC=NC(=C)N=C1CCNC2=CCC(C(F)(F)F)C=C21
InChIInChI=1S/C13H14F3N3/c1-8(17-2)19-12-5-6-18-11-4-3-9(7-10(11)12)13(14,15)16/h4,7,9,18H,1-3,5-6H2
InChIKeyCLEZVXZUGPNRQJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.98
Rot. Bonds2

About N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine

N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine (PubChem CID 163489310) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine.

Molecular Properties

Compound NameN-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine
PubChem CID163489310
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine
SMILESC=NC(=C)N=C1CCNC2=CCC(C(F)(F)F)C=C21
InChIInChI=1S/C13H14F3N3/c1-8(17-2)19-12-5-6-18-11-4-3-9(7-10(11)12)13(14,15)16/h4,7,9,18H,1-3,5-6H2
InChIKeyCLEZVXZUGPNRQJ-UHFFFAOYSA-N
XLogP2.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 141242559
2,3-Dimethylidene-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91024706

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine?
The IUPAC name of N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine (CID 163489310) is N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine.
What is the SMILES notation for N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine?
The canonical SMILES for N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine is C=NC(=C)N=C1CCNC2=CCC(C(F)(F)F)C=C21.
What is the InChIKey of N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine?
The InChIKey is CLEZVXZUGPNRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8(17-2)19-12-5-6-18-11-4-3-9(7-10(11)12)13(14,15)16/h4,7,9,18H,1-3,5-6H2.
What are the key properties of N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine?
N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine has a molecular weight of 269.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine is sourced from PubChem (CID 163489310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).