2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline

C21H24N2O4 — CID 12695186

IUPAC2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(OC)cc1-c1ccc2cc(OC)c(OC)cc2n1
InChIInChI=1S/C21H24N2O4/c1-6-22-17-12-21(27-5)19(25-3)10-14(17)15-8-7-13-9-18(24-2)20(26-4)11-16(13)23-15/h7-12,22H,6H2,1-5H3
InChIKeyACSBTIWKBBXGFO-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.37
Rot. Bonds7

About 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline

2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline (PubChem CID 12695186) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline
PubChem CID12695186
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline
SMILESCCNc1cc(OC)c(OC)cc1-c1ccc2cc(OC)c(OC)cc2n1
InChIInChI=1S/C21H24N2O4/c1-6-22-17-12-21(27-5)19(25-3)10-14(17)15-8-7-13-9-18(24-2)20(26-4)11-16(13)23-15/h7-12,22H,6H2,1-5H3
InChIKeyACSBTIWKBBXGFO-UHFFFAOYSA-N
XLogP4.37
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline?
The IUPAC name of 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline (CID 12695186) is 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline is CCNc1cc(OC)c(OC)cc1-c1ccc2cc(OC)c(OC)cc2n1.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline?
The InChIKey is ACSBTIWKBBXGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-6-22-17-12-21(27-5)19(25-3)10-14(17)15-8-7-13-9-18(24-2)20(26-4)11-16(13)23-15/h7-12,22H,6H2,1-5H3.
What are the key properties of 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline?
2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline has a molecular weight of 368.43 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline is sourced from PubChem (CID 12695186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).