7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one

C21H20N2O3 — CID 101475092

IUPAC7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(C(=O)/C=C/c3ccccn3)c(=O)oc2c1
InChIInChI=1S/C21H20N2O3/c1-3-23(4-2)17-10-8-15-13-18(21(25)26-20(15)14-17)19(24)11-9-16-7-5-6-12-22-16/h5-14H,3-4H2,1-2H3/b11-9+
InChIKeyCPSVFJKRTDZVQA-PKNBQFBNSA-N
MW348.40 g/mol
LogP3.93
Rot. Bonds6

About 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one

7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one (PubChem CID 101475092) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one
PubChem CID101475092
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(C(=O)/C=C/c3ccccn3)c(=O)oc2c1
InChIInChI=1S/C21H20N2O3/c1-3-23(4-2)17-10-8-15-13-18(21(25)26-20(15)14-17)19(24)11-9-16-7-5-6-12-22-16/h5-14H,3-4H2,1-2H3/b11-9+
InChIKeyCPSVFJKRTDZVQA-PKNBQFBNSA-N
XLogP3.93
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(1-benzofuran-2-yl)prop-2-enoyl]-7-(diethylamino)chromen-2-one
CID 88769453
7-(diethylamino)-3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]chromen-2-one
CID 102079905
7-(diethylamino)-3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]chromen-2-one
CID 25335918
4-[3-[7-(diethylamino)-2-oxochromen-3-yl]-3-oxoprop-1-enyl]benzoic acid
CID 78626318
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 159081950
7-prop-2-ynoxy-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one
CID 86280486
7-(diethylamino)-3-[3-[4-(diethylamino)phenyl]prop-2-enoyl]chromen-2-one;7-(diethylamino)-3-(furan-2-carbonyl)chromen-2-one
CID 158998534
7-(diethylamino)-3-[5-(4-ethoxyphenyl)penta-2,4-dienoyl]chromen-2-one
CID 154301300
7-(diethylamino)-3-[(E)-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]chromen-2-one
CID 89098687
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one (CID 101475092) is 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one is CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccccn3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one?
The InChIKey is CPSVFJKRTDZVQA-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-23(4-2)17-10-8-15-13-18(21(25)26-20(15)14-17)19(24)11-9-16-7-5-6-12-22-16/h5-14H,3-4H2,1-2H3/b11-9+.
What are the key properties of 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one?
7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]chromen-2-one is sourced from PubChem (CID 101475092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).