7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one

C28H22N2O4 — CID 25329957

IUPAC7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3ccccn3)c(/C=C/c3ccc4cc(OC)ccc4n3)oc2c1
InChIInChI=1S/C28H22N2O4/c1-3-33-21-10-12-22-26(17-21)34-25(27(28(22)31)24-6-4-5-15-29-24)14-9-19-8-7-18-16-20(32-2)11-13-23(18)30-19/h4-17H,3H2,1-2H3/b14-9+
InChIKeyUVKUAZBBDUVGSX-NTEUORMPSA-N
MW450.49 g/mol
LogP5.98
Rot. Bonds6

About 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one

7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one (PubChem CID 25329957) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one
PubChem CID25329957
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC Name7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one
SMILESCCOc1ccc2c(=O)c(-c3ccccn3)c(/C=C/c3ccc4cc(OC)ccc4n3)oc2c1
InChIInChI=1S/C28H22N2O4/c1-3-33-21-10-12-22-26(17-21)34-25(27(28(22)31)24-6-4-5-15-29-24)14-9-19-8-7-18-16-20(32-2)11-13-23(18)30-19/h4-17H,3H2,1-2H3/b14-9+
InChIKeyUVKUAZBBDUVGSX-NTEUORMPSA-N
XLogP5.98
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 23854701
2-[2-(3,4-dimethoxyphenyl)ethenyl]-7-ethoxy-3-(1,3-thiazol-4-yl)chromen-4-one
CID 5024825
7-methoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 2327583
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
(2-methyl-4-oxo-3-pyridin-2-ylchromen-7-yl) acetate
CID 728465
6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
CID 130185200
4-[(E)-2-(6-ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline
CID 6300604
2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one
CID 22695979
(5Z)-5-[(6-methoxyquinolin-2-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136892719
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
7-ethoxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 4270221

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one?
The IUPAC name of 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one (CID 25329957) is 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one.
What is the SMILES notation for 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one?
The canonical SMILES for 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one is CCOc1ccc2c(=O)c(-c3ccccn3)c(/C=C/c3ccc4cc(OC)ccc4n3)oc2c1.
What is the InChIKey of 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one?
The InChIKey is UVKUAZBBDUVGSX-NTEUORMPSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-3-33-21-10-12-22-26(17-21)34-25(27(28(22)31)24-6-4-5-15-29-24)14-9-19-8-7-18-16-20(32-2)11-13-23(18)30-19/h4-17H,3H2,1-2H3/b14-9+.
What are the key properties of 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one?
7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one has a molecular weight of 450.49 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]-3-pyridin-2-ylchromen-4-one is sourced from PubChem (CID 25329957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).