7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C23H22ClNO4 — CID 19130706

About 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130706) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19130706
• Molecular Formula: C23H22ClNO4
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.12
• IUPAC Name: 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCCC(C)C)c1)NC3=O
• InChI: InChI=1S/C23H22ClNO4/c1-12(2)7-8-28-15-6-4-5-14(10-15)20-19-21(26)16-11-17(24)13(3)9-18(16)29-22(19)23(27)25-20/h4-6,9-12,20H,7-8H2,1-3H3,(H,25,27)
• InChIKey: SXWXLDSAVWURAH-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 68.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130706) is 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCCC(C)C)c1)NC3=O.

What is the InChIKey of 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is SXWXLDSAVWURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-12(2)7-8-28-15-6-4-5-14(10-15)20-19-21(26)16-11-17(24)13(3)9-18(16)29-22(19)23(27)25-20/h4-6,9-12,20H,7-8H2,1-3H3,(H,25,27).

What are the key properties of 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 411.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).