2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H23N3O4 — CID 4894013

About 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4894013) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4894013
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccnc1
• InChI: InChI=1S/C22H23N3O4/c1-24(2)10-5-11-25-19(14-6-4-9-23-13-14)18-20(26)16-8-7-15(28-3)12-17(16)29-21(18)22(25)27/h4,6-9,12-13,19H,5,10-11H2,1-3H3
• InChIKey: UGSFFFRKWPHXMQ-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 75.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4894013) is 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccnc1.

What is the InChIKey of 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is UGSFFFRKWPHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24(2)10-5-11-25-19(14-6-4-9-23-13-14)18-20(26)16-8-7-15(28-3)12-17(16)29-21(18)22(25)27/h4,6-9,12-13,19H,5,10-11H2,1-3H3.

What are the key properties of 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 393.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4894013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).