7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H26ClNO6 — CID 18882494

About 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882494) has the molecular formula C28H26ClNO6 and a molecular weight of 507.97 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882494
• Molecular Formula: C28H26ClNO6
• Molecular Weight: 507.97 g/mol
• Exact Mass: 507.14
• IUPAC Name: 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCC(C)C
• InChI: InChI=1S/C28H26ClNO6/c1-15(2)14-35-21-8-7-17(11-23(21)33-4)25-24-26(31)19-12-20(29)16(3)10-22(19)36-27(24)28(32)30(25)13-18-6-5-9-34-18/h5-12,15,25H,13-14H2,1-4H3
• InChIKey: UCVAGIVIBYAORL-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 82.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.97
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882494) is 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCC(C)C.

What is the InChIKey of 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is UCVAGIVIBYAORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClNO6/c1-15(2)14-35-21-8-7-17(11-23(21)33-4)25-24-26(31)19-12-20(29)16(3)10-22(19)36-27(24)28(32)30(25)13-18-6-5-9-34-18/h5-12,15,25H,13-14H2,1-4H3.

What are the key properties of 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 507.97 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).