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

C19H20N2O4 — CID 3438863

IUPAC2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(-c2ccc3cc(OC)c(OC)cc3n2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-16-7-11-5-6-14(21-15(11)10-19(16)25-4)12-8-17(23-2)18(24-3)9-13(12)20/h5-10H,20H2,1-4H3
InChIKeyPAFIXKQJMGFWKU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.52
Rot. Bonds5

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

2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline (PubChem CID 3438863) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline
PubChem CID3438863
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(-c2ccc3cc(OC)c(OC)cc3n2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-22-16-7-11-5-6-14(21-15(11)10-19(16)25-4)12-8-17(23-2)18(24-3)9-13(12)20/h5-10H,20H2,1-4H3
InChIKeyPAFIXKQJMGFWKU-UHFFFAOYSA-N
XLogP3.52
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline?
The IUPAC name of 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline (CID 3438863) is 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline is COc1cc(N)c(-c2ccc3cc(OC)c(OC)cc3n2)cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline?
The InChIKey is PAFIXKQJMGFWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-16-7-11-5-6-14(21-15(11)10-19(16)25-4)12-8-17(23-2)18(24-3)9-13(12)20/h5-10H,20H2,1-4H3.
What are the key properties of 2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline?
2-(6,7-dimethoxyquinolin-2-yl)-4,5-dimethoxyaniline has a molecular weight of 340.38 g/mol, XLogP of 3.52, 5 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)-4,5-dimethoxyaniline is sourced from PubChem (CID 3438863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).