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

C28H24BrNO6 — CID 18855056

IUPAC7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C28H24BrNO6/c1-4-34-22-12-6-16(14-23(22)35-5-2)25-24-26(31)20-15-17(29)7-13-21(20)36-27(24)28(32)30(25)18-8-10-19(33-3)11-9-18/h6-15,25H,4-5H2,1-3H3
InChIKeyZIFATVPACOBJNG-UHFFFAOYSA-N
MW550.41 g/mol
LogP6.11
Rot. Bonds7

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

7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855056) has the molecular formula C28H24BrNO6 and a molecular weight of 550.41 g/mol. Its IUPAC name is 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855056
Molecular FormulaC28H24BrNO6
Molecular Weight550.41 g/mol
Exact Mass549.08
IUPAC Name7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C28H24BrNO6/c1-4-34-22-12-6-16(14-23(22)35-5-2)25-24-26(31)20-15-17(29)7-13-21(20)36-27(24)28(32)30(25)18-8-10-19(33-3)11-9-18/h6-15,25H,4-5H2,1-3H3
InChIKeyZIFATVPACOBJNG-UHFFFAOYSA-N
XLogP6.11
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.41
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855080
7-bromo-2-(4-bromophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855111
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-2-(3-chloro-4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855137
2-(4-bromophenyl)-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853167
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855101
2-(4-bromophenyl)-1-(4-butoxy-3-ethoxyphenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853773
1-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856070
7-bromo-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855174
7-bromo-1-(3-butoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854966
7-bromo-2-(4-ethoxyphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854307
2-(4-bromophenyl)-7-chloro-1-(3-ethoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853791

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855056) is 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZIFATVPACOBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO6/c1-4-34-22-12-6-16(14-23(22)35-5-2)25-24-26(31)20-15-17(29)7-13-21(20)36-27(24)28(32)30(25)18-8-10-19(33-3)11-9-18/h6-15,25H,4-5H2,1-3H3.
What are the key properties of 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 550.41 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).