1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline

C20H17NO2 — CID 46865890

IUPAC1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline
SMILESCCOC1OC(c2ccccc2)=Cc2nc3ccccc3cc21
InChIInChI=1S/C20H17NO2/c1-2-22-20-16-12-15-10-6-7-11-17(15)21-18(16)13-19(23-20)14-8-4-3-5-9-14/h3-13,20H,2H2,1H3
InChIKeyJOZBEONDEAVYJF-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.80
Rot. Bonds3

About 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline

1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline (PubChem CID 46865890) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline.

Molecular Properties

Compound Name1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline
PubChem CID46865890
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline
SMILESCCOC1OC(c2ccccc2)=Cc2nc3ccccc3cc21
InChIInChI=1S/C20H17NO2/c1-2-22-20-16-12-15-10-6-7-11-17(15)21-18(16)13-19(23-20)14-8-4-3-5-9-14/h3-13,20H,2H2,1H3
InChIKeyJOZBEONDEAVYJF-UHFFFAOYSA-N
XLogP4.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline?
The IUPAC name of 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline (CID 46865890) is 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline.
What is the SMILES notation for 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline?
The canonical SMILES for 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline is CCOC1OC(c2ccccc2)=Cc2nc3ccccc3cc21.
What is the InChIKey of 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline?
The InChIKey is JOZBEONDEAVYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-22-20-16-12-15-10-6-7-11-17(15)21-18(16)13-19(23-20)14-8-4-3-5-9-14/h3-13,20H,2H2,1H3.
What are the key properties of 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline?
1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline has a molecular weight of 303.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline is sourced from PubChem (CID 46865890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).