7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22FNO6 — CID 18855663

IUPAC7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C27H22FNO6/c1-14-6-5-7-17(10-14)29-23(15-11-20(32-2)25(34-4)21(12-15)33-3)22-24(30)18-13-16(28)8-9-19(18)35-26(22)27(29)31/h5-13,23H,1-4H3
InChIKeyOZFHPHSVZIIFQX-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.02
Rot. Bonds5

About 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855663) has the molecular formula C27H22FNO6 and a molecular weight of 475.47 g/mol. Its IUPAC name is 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855663
Molecular FormulaC27H22FNO6
Molecular Weight475.47 g/mol
Exact Mass475.14
IUPAC Name7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C27H22FNO6/c1-14-6-5-7-17(10-14)29-23(15-11-20(32-2)25(34-4)21(12-15)33-3)22-24(30)18-13-16(28)8-9-19(18)35-26(22)27(29)31/h5-13,23H,1-4H3
InChIKeyOZFHPHSVZIIFQX-UHFFFAOYSA-N
XLogP5.02
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855665
1-(4-ethylphenyl)-7-fluoro-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855645
1-(4-fluorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857431
2-(3-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853301
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855791
1-(4-bromophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855467
7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856295
7-fluoro-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855603
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855850
7-bromo-2-(3,4-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854645
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855449
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855663) is 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OZFHPHSVZIIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO6/c1-14-6-5-7-17(10-14)29-23(15-11-20(32-2)25(34-4)21(12-15)33-3)22-24(30)18-13-16(28)8-9-19(18)35-26(22)27(29)31/h5-13,23H,1-4H3.
What are the key properties of 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 475.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).