1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H22Cl2N2O3 — CID 4705856

About 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705856) has the molecular formula C23H22Cl2N2O3 and a molecular weight of 445.35 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4705856
• Molecular Formula: C23H22Cl2N2O3
• Molecular Weight: 445.35 g/mol
• Exact Mass: 444.10
• IUPAC Name: 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(Cl)c(Cl)c1)N(CCCN(C)C)C3=O
• InChI: InChI=1S/C23H22Cl2N2O3/c1-13-5-8-18-15(11-13)21(28)19-20(14-6-7-16(24)17(25)12-14)27(10-4-9-26(2)3)23(29)22(19)30-18/h5-8,11-12,20H,4,9-10H2,1-3H3
• InChIKey: DXSXGBWKRGUBCA-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.35
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705856) is 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(Cl)c(Cl)c1)N(CCCN(C)C)C3=O.

What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is DXSXGBWKRGUBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3/c1-13-5-8-18-15(11-13)21(28)19-20(14-6-7-16(24)17(25)12-14)27(10-4-9-26(2)3)23(29)22(19)30-18/h5-8,11-12,20H,4,9-10H2,1-3H3.

What are the key properties of 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 445.35 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).