7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H26Cl2N2O3 — CID 19134467

About 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134467) has the molecular formula C25H26Cl2N2O3 and a molecular weight of 473.40 g/mol. Its IUPAC name is 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19134467
• Molecular Formula: C25H26Cl2N2O3
• Molecular Weight: 473.40 g/mol
• Exact Mass: 472.13
• IUPAC Name: 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCN(CC)CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1cccc(Cl)c1
• InChI: InChI=1S/C25H26Cl2N2O3/c1-4-28(5-2)10-7-11-29-22(16-8-6-9-17(26)13-16)21-23(30)18-14-19(27)15(3)12-20(18)32-24(21)25(29)31/h6,8-9,12-14,22H,4-5,7,10-11H2,1-3H3
• InChIKey: NIQNMVWJCHVJAN-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.40
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134467) is 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1cccc(Cl)c1.

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

The InChIKey is NIQNMVWJCHVJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O3/c1-4-28(5-2)10-7-11-29-22(16-8-6-9-17(26)13-16)21-23(30)18-14-19(27)15(3)12-20(18)32-24(21)25(29)31/h6,8-9,12-14,22H,4-5,7,10-11H2,1-3H3.

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

7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 473.40 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).