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

C25H18FNO4S — CID 18856295

IUPAC7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(SC)cc2)c1
InChIInChI=1S/C25H18FNO4S/c1-30-17-5-3-4-16(13-17)27-22(14-6-9-18(32-2)10-7-14)21-23(28)19-12-15(26)8-11-20(19)31-24(21)25(27)29/h3-13,22H,1-2H3
InChIKeyDWOFROLEUYGZBV-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.41
Rot. Bonds4

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

7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856295) has the molecular formula C25H18FNO4S and a molecular weight of 447.49 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856295
Molecular FormulaC25H18FNO4S
Molecular Weight447.49 g/mol
Exact Mass447.09
IUPAC Name7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(SC)cc2)c1
InChIInChI=1S/C25H18FNO4S/c1-30-17-5-3-4-16(13-17)27-22(14-6-9-18(32-2)10-7-14)21-23(28)19-12-15(26)8-11-20(19)31-24(21)25(27)29/h3-13,22H,1-2H3
InChIKeyDWOFROLEUYGZBV-UHFFFAOYSA-N
XLogP5.41
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855467
1-(4-fluorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857431
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855449
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-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855665
7-fluoro-2-(6-methyl-2-pyridinyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3814951
2-(3,4-dimethylphenyl)-7-fluoro-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855850
7-bromo-2-(3-methoxyphenyl)-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854856
7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856025
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855791
2-(3-bromophenyl)-7-fluoro-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855427
1-(4-chlorophenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857343

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856295) is 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(SC)cc2)c1.
What is the InChIKey of 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DWOFROLEUYGZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO4S/c1-30-17-5-3-4-16(13-17)27-22(14-6-9-18(32-2)10-7-14)21-23(28)19-12-15(26)8-11-20(19)31-24(21)25(27)29/h3-13,22H,1-2H3.
What are the key properties of 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 447.49 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-methoxyphenyl)-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).