1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25ClN2O3 — CID 4705931

About 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705931) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4705931
• Molecular Formula: C24H25ClN2O3
• Molecular Weight: 424.93 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(Cl)cc1)N(CCCN(C)C)C3=O
• InChI: InChI=1S/C24H25ClN2O3/c1-14-12-18-19(13-15(14)2)30-23-20(22(18)28)21(16-6-8-17(25)9-7-16)27(24(23)29)11-5-10-26(3)4/h6-9,12-13,21H,5,10-11H2,1-4H3
• InChIKey: CMTYIDMZERFZMC-UHFFFAOYSA-N
• XLogP: 4.56
• 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	424.93
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705931) is 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(Cl)cc1)N(CCCN(C)C)C3=O.

What is the InChIKey of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is CMTYIDMZERFZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-14-12-18-19(13-15(14)2)30-23-20(22(18)28)21(16-6-8-17(25)9-7-16)27(24(23)29)11-5-10-26(3)4/h6-9,12-13,21H,5,10-11H2,1-4H3.

What are the key properties of 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 424.93 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).