2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H19Cl2NO4 — CID 18856341

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C26H19Cl2NO4/c1-13-10-18-21(11-14(13)2)33-25-22(24(18)30)23(15-4-6-16(27)7-5-15)29(26(25)31)17-8-9-20(32-3)19(28)12-17/h4-12,23H,1-3H3
InChIKeyOMDOCMNURDGCBS-UHFFFAOYSA-N
MW480.35 g/mol
LogP6.48
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856341) has the molecular formula C26H19Cl2NO4 and a molecular weight of 480.35 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856341
Molecular FormulaC26H19Cl2NO4
Molecular Weight480.35 g/mol
Exact Mass479.07
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C26H19Cl2NO4/c1-13-10-18-21(11-14(13)2)33-25-22(24(18)30)23(15-4-6-16(27)7-5-15)29(26(25)31)17-8-9-20(32-3)19(28)12-17/h4-12,23H,1-3H3
InChIKeyOMDOCMNURDGCBS-UHFFFAOYSA-N
XLogP6.48
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.35
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-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

2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856340
2-(3-chloro-4-methoxyphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856517
1-(4-butoxyphenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856714
1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856392
2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856822
2-(3-chloro-4-methylphenyl)-6,7-dimethyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856358
2-(3-chloro-4-methylphenyl)-1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856605
2-(3-chloro-4-methoxyphenyl)-1-(4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857479
methyl 4-[7-chloro-2-(3-chloro-4-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18853530
2-(3-chloro-4-methoxyphenyl)-1-(3,4-dichlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857443
2-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857336
2-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856677

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856341) is 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OMDOCMNURDGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2NO4/c1-13-10-18-21(11-14(13)2)33-25-22(24(18)30)23(15-4-6-16(27)7-5-15)29(26(25)31)17-8-9-20(32-3)19(28)12-17/h4-12,23H,1-3H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 480.35 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).