7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H25Cl2NO5 — CID 18854291

IUPAC7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1OCC(C)C
InChIInChI=1S/C29H25Cl2NO5/c1-15(2)14-36-23-9-6-17(11-24(23)35-4)26-25-27(33)20-12-18(30)7-10-22(20)37-28(25)29(34)32(26)19-8-5-16(3)21(31)13-19/h5-13,15,26H,14H2,1-4H3
InChIKeyHXZLQBBPZORYMK-UHFFFAOYSA-N
MW538.43 g/mol
LogP7.20
Rot. Bonds6

About 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854291) has the molecular formula C29H25Cl2NO5 and a molecular weight of 538.43 g/mol. Its IUPAC name is 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854291
Molecular FormulaC29H25Cl2NO5
Molecular Weight538.43 g/mol
Exact Mass537.11
IUPAC Name7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1OCC(C)C
InChIInChI=1S/C29H25Cl2NO5/c1-15(2)14-36-23-9-6-17(11-24(23)35-4)26-25-27(33)20-12-18(30)7-10-22(20)37-28(25)29(34)32(26)19-8-5-16(3)21(31)13-19/h5-13,15,26H,14H2,1-4H3
InChIKeyHXZLQBBPZORYMK-UHFFFAOYSA-N
XLogP7.20
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.43
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)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

7-chloro-2-(4-ethylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854293
2-(3-chloro-4-methylphenyl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857532
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853964
2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856302
2-(3-chloro-4-methylphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858248
7-chloro-2-(3,4-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853435
7-chloro-2-(2-methoxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706158
2-(4-bromophenyl)-7-chloro-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853167
7-bromo-2-(3-chloro-4-methoxyphenyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854760
7-bromo-2-(3-chloro-4-methylphenyl)-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855172
7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3756143
2-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858249

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854291) is 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1OCC(C)C.
What is the InChIKey of 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HXZLQBBPZORYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2NO5/c1-15(2)14-36-23-9-6-17(11-24(23)35-4)26-25-27(33)20-12-18(30)7-10-22(20)37-28(25)29(34)32(26)19-8-5-16(3)21(31)13-19/h5-13,15,26H,14H2,1-4H3.
What are the key properties of 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 538.43 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-chloro-4-methylphenyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).