6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one

C17H15NO3 — CID 854598

IUPAC6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one
SMILESCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC
InChIInChI=1S/C17H15NO3/c1-3-11-8-12-16(9-15(11)20-2)21-10-13(17(12)19)14-6-4-5-7-18-14/h4-10H,3H2,1-2H3
InChIKeyYLTIMYOBCHMPFR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.43
Rot. Bonds3

About 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one

6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one (PubChem CID 854598) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one
PubChem CID854598
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one
SMILESCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC
InChIInChI=1S/C17H15NO3/c1-3-11-8-12-16(9-15(11)20-2)21-10-13(17(12)19)14-6-4-5-7-18-14/h4-10H,3H2,1-2H3
InChIKeyYLTIMYOBCHMPFR-UHFFFAOYSA-N
XLogP3.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one?
The IUPAC name of 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one (CID 854598) is 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one.
What is the SMILES notation for 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one?
The canonical SMILES for 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one is CCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC.
What is the InChIKey of 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one?
The InChIKey is YLTIMYOBCHMPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-11-8-12-16(9-15(11)20-2)21-10-13(17(12)19)14-6-4-5-7-18-14/h4-10H,3H2,1-2H3.
What are the key properties of 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one?
6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one has a molecular weight of 281.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methoxy-3-pyridin-2-ylchromen-4-one is sourced from PubChem (CID 854598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).