7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H18BrNO5 — CID 18854856

IUPAC7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(OC)c2)cc1
InChIInChI=1S/C25H18BrNO5/c1-30-17-9-6-14(7-10-17)22-21-23(28)19-12-15(26)8-11-20(19)32-24(21)25(29)27(22)16-4-3-5-18(13-16)31-2/h3-13,22H,1-2H3
InChIKeyZNUJFNSIRBSGRR-UHFFFAOYSA-N
MW492.33 g/mol
LogP5.32
Rot. Bonds4

About 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854856) has the molecular formula C25H18BrNO5 and a molecular weight of 492.33 g/mol. Its IUPAC name is 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854856
Molecular FormulaC25H18BrNO5
Molecular Weight492.33 g/mol
Exact Mass491.04
IUPAC Name7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(OC)c2)cc1
InChIInChI=1S/C25H18BrNO5/c1-30-17-9-6-14(7-10-17)22-21-23(28)19-12-15(26)8-11-20(19)32-24(21)25(29)27(22)16-4-3-5-18(13-16)31-2/h3-13,22H,1-2H3
InChIKeyZNUJFNSIRBSGRR-UHFFFAOYSA-N
XLogP5.32
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.33
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-1-(4-methoxyphenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854854
1-(4-bromophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855467
7-bromo-2-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854663
2-(4-bromophenyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857846
7-bromo-2-(3-methoxyphenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855053
(1R)-7-bromo-1-(4-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2023388
2-(4-bromophenyl)-7-chloro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853487
7-bromo-1-(3-butoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854966
1-(4-fluorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857431
1-(4-chlorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857343
1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856398
1-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857521

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854856) is 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(OC)c2)cc1.
What is the InChIKey of 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZNUJFNSIRBSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO5/c1-30-17-9-6-14(7-10-17)22-21-23(28)19-12-15(26)8-11-20(19)32-24(21)25(29)27(22)16-4-3-5-18(13-16)31-2/h3-13,22H,1-2H3.
What are the key properties of 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 492.33 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).