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

C23H20BrNO5 — CID 4706181

IUPAC7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C23H20BrNO5/c1-3-11-29-16-7-4-14(5-8-16)20-19-21(26)17-13-15(24)6-9-18(17)30-22(19)23(27)25(20)10-12-28-2/h3-9,13,20H,1,10-12H2,2H3
InChIKeyUDTURCNRLOUAMM-UHFFFAOYSA-N
MW470.32 g/mol
LogP4.31
Rot. Bonds7

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

7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706181) has the molecular formula C23H20BrNO5 and a molecular weight of 470.32 g/mol. Its IUPAC name is 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706181
Molecular FormulaC23H20BrNO5
Molecular Weight470.32 g/mol
Exact Mass469.05
IUPAC Name7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C23H20BrNO5/c1-3-11-29-16-7-4-14(5-8-16)20-19-21(26)17-13-15(24)6-9-18(17)30-22(19)23(27)25(20)10-12-28-2/h3-9,13,20H,1,10-12H2,2H3
InChIKeyUDTURCNRLOUAMM-UHFFFAOYSA-N
XLogP4.31
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-(2-methoxyethyl)-7-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851029
7-bromo-1-(4-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706169
7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706126
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706498
7-bromo-1-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706165
7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706175
7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706173
3-[7-chloro-3,9-dioxo-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 5142034
7-chloro-2-(2-hydroxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3497869
7-bromo-1-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820399
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472848
7-bromo-1-(4-ethoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3767517

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706181) is 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCOC)cc1.
What is the InChIKey of 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UDTURCNRLOUAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO5/c1-3-11-29-16-7-4-14(5-8-16)20-19-21(26)17-13-15(24)6-9-18(17)30-22(19)23(27)25(20)10-12-28-2/h3-9,13,20H,1,10-12H2,2H3.
What are the key properties of 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 470.32 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).