2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline

C33H29N3O3 — CID 46193748

IUPAC2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline
SMILESCCOc1ccc2ccc(-c3cc4ccc(-c5cc6ccccc6nc5OCC)cc4nc3OCC)cc2n1
InChIInChI=1S/C33H29N3O3/c1-4-37-31-16-15-21-11-12-22(19-29(21)34-31)27-18-25-14-13-23(20-30(25)36-33(27)39-6-3)26-17-24-9-7-8-10-28(24)35-32(26)38-5-2/h7-20H,4-6H2,1-3H3
InChIKeyVJCAXNSXARMTDB-UHFFFAOYSA-N
MW515.61 g/mol
LogP7.86
Rot. Bonds8

About 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline

2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline (PubChem CID 46193748) has the molecular formula C33H29N3O3 and a molecular weight of 515.61 g/mol. Its IUPAC name is 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline.

Molecular Properties

Compound Name2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline
PubChem CID46193748
Molecular FormulaC33H29N3O3
Molecular Weight515.61 g/mol
Exact Mass515.22
IUPAC Name2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline
SMILESCCOc1ccc2ccc(-c3cc4ccc(-c5cc6ccccc6nc5OCC)cc4nc3OCC)cc2n1
InChIInChI=1S/C33H29N3O3/c1-4-37-31-16-15-21-11-12-22(19-29(21)34-31)27-18-25-14-13-23(20-30(25)36-33(27)39-6-3)26-17-24-9-7-8-10-28(24)35-32(26)38-5-2/h7-20H,4-6H2,1-3H3
InChIKeyVJCAXNSXARMTDB-UHFFFAOYSA-N
XLogP7.86
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline?
The IUPAC name of 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline (CID 46193748) is 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline.
What is the SMILES notation for 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline?
The canonical SMILES for 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline is CCOc1ccc2ccc(-c3cc4ccc(-c5cc6ccccc6nc5OCC)cc4nc3OCC)cc2n1.
What is the InChIKey of 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline?
The InChIKey is VJCAXNSXARMTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O3/c1-4-37-31-16-15-21-11-12-22(19-29(21)34-31)27-18-25-14-13-23(20-30(25)36-33(27)39-6-3)26-17-24-9-7-8-10-28(24)35-32(26)38-5-2/h7-20H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline?
2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline has a molecular weight of 515.61 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-(2-ethoxyquinolin-3-yl)-3-(2-ethoxyquinolin-7-yl)quinoline is sourced from PubChem (CID 46193748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).