2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one

C21H17NO3 — CID 10359339

IUPAC2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(C#Cc3ccccc3)cccc12
InChIInChI=1S/C21H17NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-8,15H,11-14H2
InChIKeyFVCZHPDXMMYSDW-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.03
Rot. Bonds1

About 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one

2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one (PubChem CID 10359339) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one
PubChem CID10359339
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(C#Cc3ccccc3)cccc12
InChIInChI=1S/C21H17NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-8,15H,11-14H2
InChIKeyFVCZHPDXMMYSDW-UHFFFAOYSA-N
XLogP3.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 3354
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
Etafenone
CID 3275
NU-7026
CID 9860529
LY 303511
CID 3971
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
2-(4-Morpholinyl)-4H-1-benzopyran-4-one
CID 131255
2-(2-Methylmorpholin-4-yl)benzo(h)chromen-4-one
CID 10017389
2-morpholino-4H-benzo[g]chromen-4-one
CID 11437483
7-Benzyloxy-2-(morpholin-4-yl)-chromen-4-one
CID 11522900
8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one (CID 10359339) is 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one is O=c1cc(N2CCOCC2)oc2c(C#Cc3ccccc3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one?
The InChIKey is FVCZHPDXMMYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-19-15-20(22-11-13-24-14-12-22)25-21-17(7-4-8-18(19)21)10-9-16-5-2-1-3-6-16/h1-8,15H,11-14H2.
What are the key properties of 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one?
2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one has a molecular weight of 331.37 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-(2-phenylethynyl)chromen-4-one is sourced from PubChem (CID 10359339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).