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

C27H22FNO7 — CID 18855665

IUPAC7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C27H22FNO7/c1-32-17-7-5-6-16(13-17)29-23(14-10-20(33-2)25(35-4)21(11-14)34-3)22-24(30)18-12-15(28)8-9-19(18)36-26(22)27(29)31/h5-13,23H,1-4H3
InChIKeyDCIHGCHCKSDOGI-UHFFFAOYSA-N
MW491.47 g/mol
LogP4.72
Rot. Bonds6

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

7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18855665) has the molecular formula C27H22FNO7 and a molecular weight of 491.47 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18855665
Molecular FormulaC27H22FNO7
Molecular Weight491.47 g/mol
Exact Mass491.14
IUPAC Name7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C27H22FNO7/c1-32-17-7-5-6-16(13-17)29-23(14-10-20(33-2)25(35-4)21(11-14)34-3)22-24(30)18-12-15(28)8-9-19(18)36-26(22)27(29)31/h5-13,23H,1-4H3
InChIKeyDCIHGCHCKSDOGI-UHFFFAOYSA-N
XLogP4.72
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-fluoro-2-(3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855663
1-(4-bromophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855467
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855791
7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856295
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855449
1-(4-fluorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857431
7-chloro-1-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853073
7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856025
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855850
2-(3-bromophenyl)-7-chloro-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853301
7-fluoro-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855603
7-chloro-1-(3-chlorophenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853554

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18855665) is 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DCIHGCHCKSDOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO7/c1-32-17-7-5-6-16(13-17)29-23(14-10-20(33-2)25(35-4)21(11-14)34-3)22-24(30)18-12-15(28)8-9-19(18)36-26(22)27(29)31/h5-13,23H,1-4H3.
What are the key properties of 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 491.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18855665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).