3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

C24H21NO5 — CID 4913878

IUPAC3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCOc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccco2)CO4)cc1
InChIInChI=1S/C24H21NO5/c1-15-23-17(12-25(14-29-23)13-19-4-3-9-28-19)10-21-20(11-22(26)30-24(15)21)16-5-7-18(27-2)8-6-16/h3-11H,12-14H2,1-2H3
InChIKeyLOFHDAHZVXTMHB-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.72
Rot. Bonds4

About 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (PubChem CID 4913878) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
PubChem CID4913878
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCOc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccco2)CO4)cc1
InChIInChI=1S/C24H21NO5/c1-15-23-17(12-25(14-29-23)13-19-4-3-9-28-19)10-21-20(11-22(26)30-24(15)21)16-5-7-18(27-2)8-6-16/h3-11H,12-14H2,1-2H3
InChIKeyLOFHDAHZVXTMHB-UHFFFAOYSA-N
XLogP4.72
TPSA65.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The IUPAC name of 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (CID 4913878) is 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccco2)CO4)cc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The InChIKey is LOFHDAHZVXTMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-15-23-17(12-25(14-29-23)13-19-4-3-9-28-19)10-21-20(11-22(26)30-24(15)21)16-5-7-18(27-2)8-6-16/h3-11H,12-14H2,1-2H3.
What are the key properties of 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one has a molecular weight of 403.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is sourced from PubChem (CID 4913878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).