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

C23H23ClN2O3 — CID 4551176

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

7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4551176) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4551176
• Molecular Formula: C23H23ClN2O3
• Molecular Weight: 410.90 g/mol
• Exact Mass: 410.14
• IUPAC Name: 7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1
• InChI: InChI=1S/C23H23ClN2O3/c1-14-5-7-15(8-6-14)20-19-21(27)17-13-16(24)9-10-18(17)29-22(19)23(28)26(20)12-4-11-25(2)3/h5-10,13,20H,4,11-12H2,1-3H3
• InChIKey: WMGBHQRLJYYYMU-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.90
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4551176) is 7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1.

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

The InChIKey is WMGBHQRLJYYYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-14-5-7-15(8-6-14)20-19-21(27)17-13-16(24)9-10-18(17)29-22(19)23(28)26(20)12-4-11-25(2)3/h5-10,13,20H,4,11-12H2,1-3H3.

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

7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.90 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4551176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).