1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H24F3NO5 — CID 18858065

IUPAC1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OCC
InChIInChI=1S/C29H24F3NO5/c1-4-36-22-12-10-17(14-23(22)37-5-2)25-24-26(34)20-13-16(3)9-11-21(20)38-27(24)28(35)33(25)19-8-6-7-18(15-19)29(30,31)32/h6-15,25H,4-5H2,1-3H3
InChIKeyQZWCKRDCJIOMCD-UHFFFAOYSA-N
MW523.51 g/mol
LogP6.67
Rot. Bonds6

About 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18858065) has the molecular formula C29H24F3NO5 and a molecular weight of 523.51 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18858065
Molecular FormulaC29H24F3NO5
Molecular Weight523.51 g/mol
Exact Mass523.16
IUPAC Name1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OCC
InChIInChI=1S/C29H24F3NO5/c1-4-36-22-12-10-17(14-23(22)37-5-2)25-24-26(34)20-13-16(3)9-11-21(20)38-27(24)28(35)33(25)19-8-6-7-18(15-19)29(30,31)32/h6-15,25H,4-5H2,1-3H3
InChIKeyQZWCKRDCJIOMCD-UHFFFAOYSA-N
XLogP6.67
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-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

1-(4-butoxy-3-ethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858137
1-(4-ethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857511
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855133
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2224339
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858127
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858077
7-bromo-1-(4-butoxy-3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854774
1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858134
2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857625
1-(3-ethoxy-4-propoxyphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858088
7-bromo-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855241
2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857064

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18858065) is 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QZWCKRDCJIOMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3NO5/c1-4-36-22-12-10-17(14-23(22)37-5-2)25-24-26(34)20-13-16(3)9-11-21(20)38-27(24)28(35)33(25)19-8-6-7-18(15-19)29(30,31)32/h6-15,25H,4-5H2,1-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 523.51 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18858065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).