(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate

C18H15NO4 — CID 740771

IUPAC(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
SMILESCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(C)=O
InChIInChI=1S/C18H15NO4/c1-3-12-8-13-17(9-16(12)23-11(2)20)22-10-14(18(13)21)15-6-4-5-7-19-15/h4-10H,3H2,1-2H3
InChIKeyHVXIDYRYKKBHDD-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.34
Rot. Bonds3

About (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate

(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate (PubChem CID 740771) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate.

Molecular Properties

Compound Name(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
PubChem CID740771
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
SMILESCCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(C)=O
InChIInChI=1S/C18H15NO4/c1-3-12-8-13-17(9-16(12)23-11(2)20)22-10-14(18(13)21)15-6-4-5-7-19-15/h4-10H,3H2,1-2H3
InChIKeyHVXIDYRYKKBHDD-UHFFFAOYSA-N
XLogP3.34
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate?
The IUPAC name of (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate (CID 740771) is (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate.
What is the SMILES notation for (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate?
The canonical SMILES for (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate is CCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(C)=O.
What is the InChIKey of (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate?
The InChIKey is HVXIDYRYKKBHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-3-12-8-13-17(9-16(12)23-11(2)20)22-10-14(18(13)21)15-6-4-5-7-19-15/h4-10H,3H2,1-2H3.
What are the key properties of (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate?
(6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate has a molecular weight of 309.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate is sourced from PubChem (CID 740771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).