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

C15H18N2O3 — CID 139490429

IUPAC3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCCOC=Cc1cnc2cc(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)
InChIKeyZBLAUTBERCNDRI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.84
Rot. Bonds5

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

3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine (PubChem CID 139490429) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound Name3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine
PubChem CID139490429
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCCOC=Cc1cnc2cc(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)
InChIKeyZBLAUTBERCNDRI-UHFFFAOYSA-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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Related Compounds

3-[(E)-2-ethoxyethenyl]-6,7-dimethoxyquinolin-4-amine
CID 139490427
2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
CID 11287109
5-(2-ethoxyethenyl)pyrazin-2-amine
CID 123865887
4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
CID 142362259
methyl 2-chloro-5-[(E)-2-ethoxyethenyl]pyridine-4-carboxylate
CID 156504079
5-bromo-3-[(E)-2-ethoxyethenyl]-6-fluoropyridin-2-amine
CID 146404070
2-chloro-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 59849526
3-bromo-7-(2-ethoxyethenyl)-1,5-naphthyridine;3,7-dibromo-1,5-naphthyridine
CID 158521468
ethyl 3-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]prop-2-enoate
CID 59996139
ethyl (Z)-3-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]prop-2-enoate
CID 142261856
4-(4-aminobutylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 156824049
N-tert-butyl-2-chloro-5-(2-ethoxyethenyl)pyrimidin-4-amine
CID 123952920

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine (CID 139490429) is 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine is CCOC=Cc1cnc2cc(OC)c(OC)cc2c1N.
What is the InChIKey of 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine?
The InChIKey is ZBLAUTBERCNDRI-UHFFFAOYSA-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).
What are the key properties of 3-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine?
3-(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-(2-ethoxyethenyl)-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 139490429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).