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

C30H28BrNO6 — CID 18855080

IUPAC7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1OCC
InChIInChI=1S/C30H28BrNO6/c1-4-15-37-24-13-7-18(16-25(24)36-6-3)27-26-28(33)22-17-19(31)8-14-23(22)38-29(26)30(34)32(27)20-9-11-21(12-10-20)35-5-2/h7-14,16-17,27H,4-6,15H2,1-3H3
InChIKeyKIRVXHQIXWVMGL-UHFFFAOYSA-N
MW578.46 g/mol
LogP6.89
Rot. Bonds9

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

7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855080) has the molecular formula C30H28BrNO6 and a molecular weight of 578.46 g/mol. Its IUPAC name is 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855080
Molecular FormulaC30H28BrNO6
Molecular Weight578.46 g/mol
Exact Mass577.11
IUPAC Name7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1OCC
InChIInChI=1S/C30H28BrNO6/c1-4-15-37-24-13-7-18(16-25(24)36-6-3)27-26-28(33)22-17-19(31)8-14-23(22)38-29(26)30(34)32(27)20-9-11-21(12-10-20)35-5-2/h7-14,16-17,27H,4-6,15H2,1-3H3
InChIKeyKIRVXHQIXWVMGL-UHFFFAOYSA-N
XLogP6.89
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.46
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-1-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855056
2-(4-bromophenyl)-1-(4-butoxy-3-ethoxyphenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853773
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858077
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-2-(3-chloro-4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855137
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
2-(4-bromophenyl)-7-chloro-1-(3-ethoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853791
7-bromo-2-(4-bromophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855111
7-bromo-2-(4-ethoxyphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854307
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879748
1-(3-ethoxy-4-propoxyphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858088
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855150

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855080) is 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1OCC.
What is the InChIKey of 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KIRVXHQIXWVMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrNO6/c1-4-15-37-24-13-7-18(16-25(24)36-6-3)27-26-28(33)22-17-19(31)8-14-23(22)38-29(26)30(34)32(27)20-9-11-21(12-10-20)35-5-2/h7-14,16-17,27H,4-6,15H2,1-3H3.
What are the key properties of 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 578.46 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).