7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H14ClN3O3 — CID 4902261

About 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4902261) has the molecular formula C22H14ClN3O3 and a molecular weight of 403.83 g/mol. Its IUPAC name is 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4902261
• Molecular Formula: C22H14ClN3O3
• Molecular Weight: 403.83 g/mol
• Exact Mass: 403.07
• IUPAC Name: 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccnc2)N1Cc1cccnc1
• InChI: InChI=1S/C22H14ClN3O3/c23-15-5-6-17-16(9-15)20(27)18-19(14-4-2-8-25-11-14)26(22(28)21(18)29-17)12-13-3-1-7-24-10-13/h1-11,19H,12H2
• InChIKey: MQCJJKXMTJFKKX-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 76.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.83
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4902261) is 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccnc2)N1Cc1cccnc1.

What is the InChIKey of 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is MQCJJKXMTJFKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O3/c23-15-5-6-17-16(9-15)20(27)18-19(14-4-2-8-25-11-14)26(22(28)21(18)29-17)12-13-3-1-7-24-10-13/h1-11,19H,12H2.

What are the key properties of 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 403.83 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4902261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).