7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one

C23H24N2O3 — CID 154160475

IUPAC7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=C/C3Oc4ccccc4N3C)c(=O)oc2c1
InChIInChI=1S/C23H24N2O3/c1-4-25(5-2)18-12-10-16-14-17(23(26)28-21(16)15-18)11-13-22-24(3)19-8-6-7-9-20(19)27-22/h6-15,22H,4-5H2,1-3H3/b13-11+
InChIKeyLMDXXYHKXDATOF-ACCUITESSA-N
MW376.46 g/mol
LogP4.51
Rot. Bonds5

About 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one

7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one (PubChem CID 154160475) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one
PubChem CID154160475
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=C/C3Oc4ccccc4N3C)c(=O)oc2c1
InChIInChI=1S/C23H24N2O3/c1-4-25(5-2)18-12-10-16-14-17(23(26)28-21(16)15-18)11-13-22-24(3)19-8-6-7-9-20(19)27-22/h6-15,22H,4-5H2,1-3H3/b13-11+
InChIKeyLMDXXYHKXDATOF-ACCUITESSA-N
XLogP4.51
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one (CID 154160475) is 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one is CCN(CC)c1ccc2cc(/C=C/C3Oc4ccccc4N3C)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one?
The InChIKey is LMDXXYHKXDATOF-ACCUITESSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-25(5-2)18-12-10-16-14-17(23(26)28-21(16)15-18)11-13-22-24(3)19-8-6-7-9-20(19)27-22/h6-15,22H,4-5H2,1-3H3/b13-11+.
What are the key properties of 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one?
7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[(E)-2-(3-methyl-2H-1,3-benzoxazol-2-yl)ethenyl]chromen-2-one is sourced from PubChem (CID 154160475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).