3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine

C15H18N2O3 — CID 139490427

IUPAC3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine
SMILESCCO/C=C/c1cnc2cc(OC)c(OC)cc2c1N
InChIInChI=1S/C15H18N2O3/c1-4-20-6-5-10-9-17-12-8-14(19-3)13(18-2)7-11(12)15(10)16/h5-9H,4H2,1-3H3,(H2,16,17)/b6-5+
InChIKeyZBLAUTBERCNDRI-AATRIKPKSA-N
MW274.32 g/mol
LogP2.84
Rot. Bonds5

About 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine

3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine (PubChem CID 139490427) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound Name3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine
PubChem CID139490427
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine
SMILESCCO/C=C/c1cnc2cc(OC)c(OC)cc2c1N
InChIInChI=1S/C15H18N2O3/c1-4-20-6-5-10-9-17-12-8-14(19-3)13(18-2)7-11(12)15(10)16/h5-9H,4H2,1-3H3,(H2,16,17)/b6-5+
InChIKeyZBLAUTBERCNDRI-AATRIKPKSA-N
XLogP2.84
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine (CID 139490427) is 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine is CCO/C=C/c1cnc2cc(OC)c(OC)cc2c1N.
What is the InChIKey of 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine?
The InChIKey is ZBLAUTBERCNDRI-AATRIKPKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-6-5-10-9-17-12-8-14(19-3)13(18-2)7-11(12)15(10)16/h5-9H,4H2,1-3H3,(H2,16,17)/b6-5+.
What are the key properties of 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine?
3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 139490427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).