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

C28H32Cl2N2O3 — CID 4702802

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

2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4702802) has the molecular formula C28H32Cl2N2O3 and a molecular weight of 515.48 g/mol. Its IUPAC name is 2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4702802
• Molecular Formula: C28H32Cl2N2O3
• Molecular Weight: 515.48 g/mol
• Exact Mass: 514.18
• IUPAC Name: 2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCN(CCCC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C28H32Cl2N2O3/c1-3-5-14-31(15-6-4-2)16-9-17-32-25(19-12-13-21(29)22(30)18-19)24-26(33)20-10-7-8-11-23(20)35-27(24)28(32)34/h7-8,10-13,18,25H,3-6,9,14-17H2,1-2H3
• InChIKey: CYCAZZCKZGBVBR-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.48
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4702802) is 2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCN(CCCC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(Cl)c(Cl)c1.

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

The InChIKey is CYCAZZCKZGBVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O3/c1-3-5-14-31(15-6-4-2)16-9-17-32-25(19-12-13-21(29)22(30)18-19)24-26(33)20-10-7-8-11-23(20)35-27(24)28(32)34/h7-8,10-13,18,25H,3-6,9,14-17H2,1-2H3.

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

2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 515.48 g/mol, XLogP of 6.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dibutylamino)propyl]-1-(3,4-dichlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4702802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).