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

C24H18N2O4 — CID 4894304

IUPAC1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C24H18N2O4/c1-29-17-8-6-16(7-9-17)21-20-22(27)18-4-2-3-5-19(18)30-23(20)24(28)26(21)14-15-10-12-25-13-11-15/h2-13,21H,14H2,1H3
InChIKeyDBWBDSDBKNDYCG-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.94
Rot. Bonds4

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

1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4894304) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4894304
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C24H18N2O4/c1-29-17-8-6-16(7-9-17)21-20-22(27)18-4-2-3-5-19(18)30-23(20)24(28)26(21)14-15-10-12-25-13-11-15/h2-13,21H,14H2,1H3
InChIKeyDBWBDSDBKNDYCG-UHFFFAOYSA-N
XLogP3.94
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4894304) is 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DBWBDSDBKNDYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-29-17-8-6-16(7-9-17)21-20-22(27)18-4-2-3-5-19(18)30-23(20)24(28)26(21)14-15-10-12-25-13-11-15/h2-13,21H,14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 398.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4894304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).