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

C26H30N2O5 — CID 27308877

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

(1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27308877) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 27308877
• Molecular Formula: C26H30N2O5
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.22
• IUPAC Name: (1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC
• InChI: InChI=1S/C26H30N2O5/c1-15-12-18-20(13-16(15)2)33-25-22(24(18)29)23(28(26(25)30)11-7-10-27(3)4)17-8-9-19(31-5)21(14-17)32-6/h8-9,12-14,23H,7,10-11H2,1-6H3/t23-/m1/s1
• InChIKey: WNAMNGVPWSRYDU-HSZRJFAPSA-N
• XLogP: 3.92
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27308877) is (1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for (1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC.

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

The InChIKey is WNAMNGVPWSRYDU-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-15-12-18-20(13-16(15)2)33-25-22(24(18)29)23(28(26(25)30)11-7-10-27(3)4)17-8-9-19(31-5)21(14-17)32-6/h8-9,12-14,23H,7,10-11H2,1-6H3/t23-/m1/s1.

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

(1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 450.54 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27308877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).