2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H26FNO6 — CID 18890835

IUPAC2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C29H26FNO6/c1-15-10-16(2)23-20(11-15)37-28-24(26(23)32)25(18-12-21(34-3)27(36-5)22(13-18)35-4)31(29(28)33)14-17-6-8-19(30)9-7-17/h6-13,25H,14H2,1-5H3
InChIKeyXSVMTGDWDKRSGK-UHFFFAOYSA-N
MW503.53 g/mol
LogP5.32
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890835) has the molecular formula C29H26FNO6 and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890835
Molecular FormulaC29H26FNO6
Molecular Weight503.53 g/mol
Exact Mass503.17
IUPAC Name2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C29H26FNO6/c1-15-10-16(2)23-20(11-15)37-28-24(26(23)32)25(18-12-21(34-3)27(36-5)22(13-18)35-4)31(29(28)33)14-17-6-8-19(30)9-7-17/h6-13,25H,14H2,1-5H3
InChIKeyXSVMTGDWDKRSGK-UHFFFAOYSA-N
XLogP5.32
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890755
6,8-dimethyl-2-prop-2-enyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890830
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108758
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 43864143
7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809799
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109184
1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890683
1-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810764
1-(4-ethoxyphenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890718
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762
1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890786

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890835) is 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XSVMTGDWDKRSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FNO6/c1-15-10-16(2)23-20(11-15)37-28-24(26(23)32)25(18-12-21(34-3)27(36-5)22(13-18)35-4)31(29(28)33)14-17-6-8-19(30)9-7-17/h6-13,25H,14H2,1-5H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 503.53 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).