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

C26H20BrNO5 — CID 4706173

IUPAC7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H20BrNO5/c1-31-13-12-28-23(16-6-5-9-19(14-16)32-18-7-3-2-4-8-18)22-24(29)20-15-17(27)10-11-21(20)33-25(22)26(28)30/h2-11,14-15,23H,12-13H2,1H3
InChIKeyJNQYQKPXAWRWNB-UHFFFAOYSA-N
MW506.35 g/mol
LogP5.54
Rot. Bonds6

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

7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706173) has the molecular formula C26H20BrNO5 and a molecular weight of 506.35 g/mol. Its IUPAC name is 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706173
Molecular FormulaC26H20BrNO5
Molecular Weight506.35 g/mol
Exact Mass505.05
IUPAC Name7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H20BrNO5/c1-31-13-12-28-23(16-6-5-9-19(14-16)32-18-7-3-2-4-8-18)22-24(29)20-15-17(27)10-11-21(20)33-25(22)26(28)30/h2-11,14-15,23H,12-13H2,1H3
InChIKeyJNQYQKPXAWRWNB-UHFFFAOYSA-N
XLogP5.54
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.35
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-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)-7-bromo-2-(3-hydroxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41028049
(1R)-2-(2-methoxyethyl)-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851040
7-bromo-1-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706165
7-bromo-1-(4-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706169
1-(3-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3794287
7-fluoro-2-(2-methoxyethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3710556
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356486
3-[7-bromo-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium
CID 4292274
2-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 2242750
7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706181
2-pentyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113842
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820673

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706173) is 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JNQYQKPXAWRWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrNO5/c1-31-13-12-28-23(16-6-5-9-19(14-16)32-18-7-3-2-4-8-18)22-24(29)20-15-17(27)10-11-21(20)33-25(22)26(28)30/h2-11,14-15,23H,12-13H2,1H3.
What are the key properties of 7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(2-methoxyethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 506.35 g/mol, XLogP of 5.54, 6 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-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).