5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C24H17NO6 — CID 71755066

IUPAC5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccnc2)cc1
InChIInChI=1S/C24H17NO6/c1-29-15-6-4-13(5-7-15)17-12-30-24-21-16(14-3-2-8-25-11-14)9-20(27)31-19(21)10-18(26)22(24)23(17)28/h2-8,10-12,16,26H,9H2,1H3
InChIKeyXAPNQHXBPMKFHR-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.01
Rot. Bonds3

About 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71755066) has the molecular formula C24H17NO6 and a molecular weight of 415.40 g/mol. Its IUPAC name is 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71755066
Molecular FormulaC24H17NO6
Molecular Weight415.40 g/mol
Exact Mass415.11
IUPAC Name5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccnc2)cc1
InChIInChI=1S/C24H17NO6/c1-29-15-6-4-13(5-7-15)17-12-30-24-21-16(14-3-2-8-25-11-14)9-20(27)31-19(21)10-18(26)22(24)23(17)28/h2-8,10-12,16,26H,9H2,1H3
InChIKeyXAPNQHXBPMKFHR-UHFFFAOYSA-N
XLogP4.01
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71755066) is 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccnc2)cc1.
What is the InChIKey of 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is XAPNQHXBPMKFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO6/c1-29-15-6-4-13(5-7-15)17-12-30-24-21-16(14-3-2-8-25-11-14)9-20(27)31-19(21)10-18(26)22(24)23(17)28/h2-8,10-12,16,26H,9H2,1H3.
What are the key properties of 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 415.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71755066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).