1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H18N2O5 — CID 666588

IUPAC1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O
InChIInChI=1S/C24H18N2O5/c1-30-19-12-15(6-7-17(19)27)21-20-22(28)16-4-2-3-5-18(16)31-23(20)24(29)26(21)13-14-8-10-25-11-9-14/h2-12,21,27H,13H2,1H3
InChIKeyRUMYWCRTFTZLLG-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 666588) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID666588
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O
InChIInChI=1S/C24H18N2O5/c1-30-19-12-15(6-7-17(19)27)21-20-22(28)16-4-2-3-5-18(16)31-23(20)24(29)26(21)13-14-8-10-25-11-9-14/h2-12,21,27H,13H2,1H3
InChIKeyRUMYWCRTFTZLLG-UHFFFAOYSA-N
XLogP3.65
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 666588) is 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RUMYWCRTFTZLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-30-19-12-15(6-7-17(19)27)21-20-22(28)16-4-2-3-5-18(16)31-23(20)24(29)26(21)13-14-8-10-25-11-9-14/h2-12,21,27H,13H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 414.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 666588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).