(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25ClN2O5 — CID 39866958

About (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 39866958) has the molecular formula C24H25ClN2O5 and a molecular weight of 456.93 g/mol. Its IUPAC name is (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 39866958
• Molecular Formula: C24H25ClN2O5
• Molecular Weight: 456.93 g/mol
• Exact Mass: 456.15
• IUPAC Name: (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O
• InChI: InChI=1S/C24H25ClN2O5/c1-4-31-19-12-14(6-8-17(19)28)21-20-22(29)16-13-15(25)7-9-18(16)32-23(20)24(30)27(21)11-5-10-26(2)3/h6-9,12-13,21,28H,4-5,10-11H2,1-3H3/t21-/m1/s1
• InChIKey: YEGRNOPYNITXJI-OAQYLSRUSA-N
• XLogP: 4.05
• TPSA: 83.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.93
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 39866958) is (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O.

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

The InChIKey is YEGRNOPYNITXJI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClN2O5/c1-4-31-19-12-14(6-8-17(19)28)21-20-22(29)16-13-15(25)7-9-18(16)32-23(20)24(30)27(21)11-5-10-26(2)3/h6-9,12-13,21,28H,4-5,10-11H2,1-3H3/t21-/m1/s1.

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

(1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 456.93 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 39866958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).