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

C26H29ClN2O3 — CID 44812180

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

7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 44812180) has the molecular formula C26H29ClN2O3 and a molecular weight of 452.98 g/mol. Its IUPAC name is 7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 44812180
• Molecular Formula: C26H29ClN2O3
• Molecular Weight: 452.98 g/mol
• Exact Mass: 452.19
• IUPAC Name: 7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(CC)CC)cc1
• InChI: InChI=1S/C26H29ClN2O3/c1-4-17-8-10-18(11-9-17)23-22-24(30)20-16-19(27)12-13-21(20)32-25(22)26(31)29(23)15-7-14-28(5-2)6-3/h8-13,16,23H,4-7,14-15H2,1-3H3
• InChIKey: ZTPNLSUVPPYSGH-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.98
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 44812180) is 7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(CC)CC)cc1.

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

The InChIKey is ZTPNLSUVPPYSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3/c1-4-17-8-10-18(11-9-17)23-22-24(30)20-16-19(27)12-13-21(20)32-25(22)26(31)29(23)15-7-14-28(5-2)6-3/h8-13,16,23H,4-7,14-15H2,1-3H3.

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

7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 452.98 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 44812180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).