(1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H16BrNO6 — CID 2023902

IUPAC(1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C23H16BrNO6/c1-29-18-9-12(4-6-16(18)26)20-19-21(27)15-10-13(24)5-7-17(15)31-22(19)23(28)25(20)11-14-3-2-8-30-14/h2-10,20,26H,11H2,1H3/t20-/m0/s1
InChIKeyFGUWDAFYFTYPEM-FQEVSTJZSA-N
MW482.29 g/mol
LogP4.61
Rot. Bonds4

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

(1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2023902) has the molecular formula C23H16BrNO6 and a molecular weight of 482.29 g/mol. Its IUPAC name is (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2023902
Molecular FormulaC23H16BrNO6
Molecular Weight482.29 g/mol
Exact Mass481.02
IUPAC Name(1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C23H16BrNO6/c1-29-18-9-12(4-6-16(18)26)20-19-21(27)15-10-13(24)5-7-17(15)31-22(19)23(28)25(20)11-14-3-2-8-30-14/h2-10,20,26H,11H2,1H3/t20-/m0/s1
InChIKeyFGUWDAFYFTYPEM-FQEVSTJZSA-N
XLogP4.61
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-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

7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820356
(1R)-7-bromo-2-(furan-2-ylmethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2003196
(1S)-1-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010034
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820358
7-bromo-1-(3-fluorophenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3692045
2-benzyl-7-bromo-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136138
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40870877
7-bromo-1-(4-hydroxy-3-methoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5217777
(1S)-2-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2015249
(1S)-2-benzyl-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315202
7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3750775
(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2000662

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2023902) is (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)ccc1O.
What is the InChIKey of (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FGUWDAFYFTYPEM-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H16BrNO6/c1-29-18-9-12(4-6-16(18)26)20-19-21(27)15-10-13(24)5-7-17(15)31-22(19)23(28)25(20)11-14-3-2-8-30-14/h2-10,20,26H,11H2,1H3/t20-/m0/s1.
What are the key properties of (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 482.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-2-(furan-2-ylmethyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2023902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).