1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22ClNO4 — CID 18881157

About 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18881157) has the molecular formula C27H22ClNO4 and a molecular weight of 459.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18881157
• Molecular Formula: C27H22ClNO4
• Molecular Weight: 459.93 g/mol
• Exact Mass: 459.12
• IUPAC Name: 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(CN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3C2c2cccc(Cl)c2)cc1
• InChI: InChI=1S/C27H22ClNO4/c1-15-11-16(2)25-21(12-15)24(30)22-23(18-5-4-6-19(28)13-18)29(27(31)26(22)33-25)14-17-7-9-20(32-3)10-8-17/h4-13,23H,14H2,1-3H3
• InChIKey: IAUUPDXLFMDSPN-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.93
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18881157) is 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3C2c2cccc(Cl)c2)cc1.

What is the InChIKey of 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is IAUUPDXLFMDSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO4/c1-15-11-16(2)25-21(12-15)24(30)22-23(18-5-4-6-19(28)13-18)29(27(31)26(22)33-25)14-17-7-9-20(32-3)10-8-17/h4-13,23H,14H2,1-3H3.

What are the key properties of 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 459.93 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18881157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).