7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C24H24ClNO5 — CID 19130508

About 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130508) has the molecular formula C24H24ClNO5 and a molecular weight of 441.91 g/mol. Its IUPAC name is 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19130508
• Molecular Formula: C24H24ClNO5
• Molecular Weight: 441.91 g/mol
• Exact Mass: 441.13
• IUPAC Name: 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cc(C2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)ccc1OCCC(C)C
• InChI: InChI=1S/C24H24ClNO5/c1-4-29-19-11-14(5-7-18(19)30-10-9-13(2)3)21-20-22(27)16-12-15(25)6-8-17(16)31-23(20)24(28)26-21/h5-8,11-13,21H,4,9-10H2,1-3H3,(H,26,28)
• InChIKey: NYOGPPKAZWEJFB-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 77.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.91
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130508) is 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)ccc1OCCC(C)C.

What is the InChIKey of 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is NYOGPPKAZWEJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5/c1-4-29-19-11-14(5-7-18(19)30-10-9-13(2)3)21-20-22(27)16-12-15(25)6-8-17(16)31-23(20)24(28)26-21/h5-8,11-13,21H,4,9-10H2,1-3H3,(H,26,28).

What are the key properties of 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 441.91 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).