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

C22H20N2O2 — CID 46193744

IUPAC2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline
SMILESCCOc1ccc2ccc(-c3cc4ccccc4nc3OCC)cc2n1
InChIInChI=1S/C22H20N2O2/c1-3-25-21-12-11-15-9-10-16(14-20(15)23-21)18-13-17-7-5-6-8-19(17)24-22(18)26-4-2/h5-14H,3-4H2,1-2H3
InChIKeyZJNSZSVEVPVDSI-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.25
Rot. Bonds5

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

2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline (PubChem CID 46193744) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline.

Molecular Properties

Compound Name2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline
PubChem CID46193744
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline
SMILESCCOc1ccc2ccc(-c3cc4ccccc4nc3OCC)cc2n1
InChIInChI=1S/C22H20N2O2/c1-3-25-21-12-11-15-9-10-16(14-20(15)23-21)18-13-17-7-5-6-8-19(17)24-22(18)26-4-2/h5-14H,3-4H2,1-2H3
InChIKeyZJNSZSVEVPVDSI-UHFFFAOYSA-N
XLogP5.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline?
The IUPAC name of 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline (CID 46193744) is 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline.
What is the SMILES notation for 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline?
The canonical SMILES for 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline is CCOc1ccc2ccc(-c3cc4ccccc4nc3OCC)cc2n1.
What is the InChIKey of 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline?
The InChIKey is ZJNSZSVEVPVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-3-25-21-12-11-15-9-10-16(14-20(15)23-21)18-13-17-7-5-6-8-19(17)24-22(18)26-4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline?
2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline has a molecular weight of 344.41 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-ethoxyquinolin-7-yl)quinoline is sourced from PubChem (CID 46193744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).