4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one

C24H15NO6 — CID 54680182

IUPAC4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C(c1ccncc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H15NO6/c26-21-14-5-1-3-7-16(14)30-23(28)19(21)18(13-9-11-25-12-10-13)20-22(27)15-6-2-4-8-17(15)31-24(20)29/h1-12,18,26-27H
InChIKeyAJQRDMVKOFZTNT-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.89
Rot. Bonds3

About 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one (PubChem CID 54680182) has the molecular formula C24H15NO6 and a molecular weight of 413.39 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one
PubChem CID54680182
Molecular FormulaC24H15NO6
Molecular Weight413.39 g/mol
Exact Mass413.09
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C(c1ccncc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C24H15NO6/c26-21-14-5-1-3-7-16(14)30-23(28)19(21)18(13-9-11-25-12-10-13)20-22(27)15-6-2-4-8-17(15)31-24(20)29/h1-12,18,26-27H
InChIKeyAJQRDMVKOFZTNT-UHFFFAOYSA-N
XLogP3.89
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one (CID 54680182) is 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one is O=c1oc2ccccc2c(O)c1C(c1ccncc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one?
The InChIKey is AJQRDMVKOFZTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO6/c26-21-14-5-1-3-7-16(14)30-23(28)19(21)18(13-9-11-25-12-10-13)20-22(27)15-6-2-4-8-17(15)31-24(20)29/h1-12,18,26-27H.
What are the key properties of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one?
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one has a molecular weight of 413.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-4-ylmethyl]chromen-2-one is sourced from PubChem (CID 54680182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).