7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one

C20H20N2O2 — CID 15686900

IUPAC7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=C/c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C20H20N2O2/c1-3-22(4-2)18-8-7-16-13-17(20(23)24-19(16)14-18)6-5-15-9-11-21-12-10-15/h5-14H,3-4H2,1-2H3/b6-5+
InChIKeySDJKATWHQBUQEG-AATRIKPKSA-N
MW320.39 g/mol
LogP4.20
Rot. Bonds5

About 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one

7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one (PubChem CID 15686900) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one
PubChem CID15686900
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=C/c3ccncc3)c(=O)oc2c1
InChIInChI=1S/C20H20N2O2/c1-3-22(4-2)18-8-7-16-13-17(20(23)24-19(16)14-18)6-5-15-9-11-21-12-10-15/h5-14H,3-4H2,1-2H3/b6-5+
InChIKeySDJKATWHQBUQEG-AATRIKPKSA-N
XLogP4.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one (CID 15686900) is 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one is CCN(CC)c1ccc2cc(/C=C/c3ccncc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one?
The InChIKey is SDJKATWHQBUQEG-AATRIKPKSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-22(4-2)18-8-7-16-13-17(20(23)24-19(16)14-18)6-5-15-9-11-21-12-10-15/h5-14H,3-4H2,1-2H3/b6-5+.
What are the key properties of 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one?
7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[(E)-2-pyridin-4-ylethenyl]chromen-2-one is sourced from PubChem (CID 15686900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).