6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine

C20H22N2O2 — CID 696591

IUPAC6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc3ccc(OCC)cc23)cc1
InChIInChI=1S/C20H22N2O2/c1-4-23-16-8-6-15(7-9-16)22-20-12-14(3)21-19-11-10-17(24-5-2)13-18(19)20/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyLEFCJIJYHKFAKQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.08
Rot. Bonds6

About 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine

6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine (PubChem CID 696591) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine
PubChem CID696591
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc3ccc(OCC)cc23)cc1
InChIInChI=1S/C20H22N2O2/c1-4-23-16-8-6-15(7-9-16)22-20-12-14(3)21-19-11-10-17(24-5-2)13-18(19)20/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyLEFCJIJYHKFAKQ-UHFFFAOYSA-N
XLogP5.08
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine?
The IUPAC name of 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine (CID 696591) is 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine?
The canonical SMILES for 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine is CCOc1ccc(Nc2cc(C)nc3ccc(OCC)cc23)cc1.
What is the InChIKey of 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine?
The InChIKey is LEFCJIJYHKFAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-23-16-8-6-15(7-9-16)22-20-12-14(3)21-19-11-10-17(24-5-2)13-18(19)20/h6-13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine?
6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-ethoxyphenyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 696591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).