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

C18H12BrNO4 — CID 19130582

IUPAC7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2NC(=O)c3oc4ccc(Br)cc4c(=O)c32)c1
InChIInChI=1S/C18H12BrNO4/c1-23-11-4-2-3-9(7-11)15-14-16(21)12-8-10(19)5-6-13(12)24-17(14)18(22)20-15/h2-8,15H,1H3,(H,20,22)
InChIKeyJRJPQGZLPAVWIY-UHFFFAOYSA-N
MW386.20 g/mol
LogP3.40
Rot. Bonds2

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

7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130582) has the molecular formula C18H12BrNO4 and a molecular weight of 386.20 g/mol. Its IUPAC name is 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130582
Molecular FormulaC18H12BrNO4
Molecular Weight386.20 g/mol
Exact Mass384.99
IUPAC Name7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(C2NC(=O)c3oc4ccc(Br)cc4c(=O)c32)c1
InChIInChI=1S/C18H12BrNO4/c1-23-11-4-2-3-9(7-11)15-14-16(21)12-8-10(19)5-6-13(12)24-17(14)18(22)20-15/h2-8,15H,1H3,(H,20,22)
InChIKeyJRJPQGZLPAVWIY-UHFFFAOYSA-N
XLogP3.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-1-[3-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130602
1-(3-bromophenyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130725
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130613
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130607
(1R)-7-bromo-2-(3-hydroxypropyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41028049
7-bromo-2-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854663
2-(1,3-benzodioxol-5-ylmethyl)-7-bromo-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810538
7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854856
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356486
(1S)-7-ethyl-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2037154
7-bromo-1-(3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3992895

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130582) is 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(C2NC(=O)c3oc4ccc(Br)cc4c(=O)c32)c1.
What is the InChIKey of 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JRJPQGZLPAVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO4/c1-23-11-4-2-3-9(7-11)15-14-16(21)12-8-10(19)5-6-13(12)24-17(14)18(22)20-15/h2-8,15H,1H3,(H,20,22).
What are the key properties of 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 386.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).