(E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine

C12H14N2O — CID 89419528

IUPAC(E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine
SMILESC=Cc1ccc2c(n1)/C(=N/OC)CCC2
InChIInChI=1S/C12H14N2O/c1-3-10-8-7-9-5-4-6-11(14-15-2)12(9)13-10/h3,7-8H,1,4-6H2,2H3/b14-11+
InChIKeyUNTAEQKBEVHUEY-SDNWHVSQSA-N
MW202.26 g/mol
LogP2.41
Rot. Bonds2

About (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine

(E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 89419528) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound Name(E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine
PubChem CID89419528
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine
SMILESC=Cc1ccc2c(n1)/C(=N/OC)CCC2
InChIInChI=1S/C12H14N2O/c1-3-10-8-7-9-5-4-6-11(14-15-2)12(9)13-10/h3,7-8H,1,4-6H2,2H3/b14-11+
InChIKeyUNTAEQKBEVHUEY-SDNWHVSQSA-N
XLogP2.41
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine (CID 89419528) is (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine is C=Cc1ccc2c(n1)/C(=N/OC)CCC2.
What is the InChIKey of (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is UNTAEQKBEVHUEY-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-10-8-7-9-5-4-6-11(14-15-2)12(9)13-10/h3,7-8H,1,4-6H2,2H3/b14-11+.
What are the key properties of (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine?
(E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 202.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 89419528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).