6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one

C22H13NO3 — CID 71376521

IUPAC6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2c1cc(-c1ccco1)c1ccccc12
InChIInChI=1S/C22H13NO3/c24-19-13-21(14-7-9-23-10-8-14)26-22-16-5-2-1-4-15(16)17(12-18(19)22)20-6-3-11-25-20/h1-13H
InChIKeyYYRINQRAIIGEQV-UHFFFAOYSA-N
MW339.35 g/mol
LogP5.27
Rot. Bonds2

About 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one

6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one (PubChem CID 71376521) has the molecular formula C22H13NO3 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one
PubChem CID71376521
Molecular FormulaC22H13NO3
Molecular Weight339.35 g/mol
Exact Mass339.09
IUPAC Name6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2c1cc(-c1ccco1)c1ccccc12
InChIInChI=1S/C22H13NO3/c24-19-13-21(14-7-9-23-10-8-14)26-22-16-5-2-1-4-15(16)17(12-18(19)22)20-6-3-11-25-20/h1-13H
InChIKeyYYRINQRAIIGEQV-UHFFFAOYSA-N
XLogP5.27
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Uccf-029
CID 3163532
2-Pyridin-3-yl-benzo[h]chromen-4-one
CID 323484
(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899
6,7,10-Trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one
CID 162664846
2-(2-Fluoro-4-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162677281
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794673
4-[5-(5-Methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]pyridine
CID 45482767
4-(Benzofuran-5-yl)pyridine
CID 69909895
6,7,10-Trimethoxy-2-pyridin-4-ylbenzo[h]chromen-4-one
CID 162645738
7-(naphthalen-1-ylmethoxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 23644942
7-(naphthalen-2-ylmethoxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 23644943
1-(2-Methoxy-1-naphthyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5341678

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one?
The IUPAC name of 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one (CID 71376521) is 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one.
What is the SMILES notation for 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one?
The canonical SMILES for 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one is O=c1cc(-c2ccncc2)oc2c1cc(-c1ccco1)c1ccccc12.
What is the InChIKey of 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one?
The InChIKey is YYRINQRAIIGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO3/c24-19-13-21(14-7-9-23-10-8-14)26-22-16-5-2-1-4-15(16)17(12-18(19)22)20-6-3-11-25-20/h1-13H.
What are the key properties of 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one?
6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one has a molecular weight of 339.35 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-pyridin-4-ylbenzo[h]chromen-4-one is sourced from PubChem (CID 71376521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).