3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione

C21H14ClN3O3 — CID 22308775

IUPAC3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(c4c[nH]c5cc(Cl)ccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C21H14ClN3O3/c1-28-11-3-5-16-13(7-11)15(9-23-16)19-18(20(26)25-21(19)27)14-8-24-17-6-10(22)2-4-12(14)17/h2-9,23-24H,1H3,(H,25,26,27)
InChIKeyNGXOSGKKRLWBSO-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.88
Rot. Bonds3

About 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione

3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22308775) has the molecular formula C21H14ClN3O3 and a molecular weight of 391.81 g/mol. Its IUPAC name is 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22308775
Molecular FormulaC21H14ClN3O3
Molecular Weight391.81 g/mol
Exact Mass391.07
IUPAC Name3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(c4c[nH]c5cc(Cl)ccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C21H14ClN3O3/c1-28-11-3-5-16-13(7-11)15(9-23-16)19-18(20(26)25-21(19)27)14-8-24-17-6-10(22)2-4-12(14)17/h2-9,23-24H,1H3,(H,25,26,27)
InChIKeyNGXOSGKKRLWBSO-UHFFFAOYSA-N
XLogP3.88
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-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

3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
CID 163360683
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 70340325
3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 10573330
6-chloro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 166443646
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione;5,6-bis(4-methoxyanilino)isoindole-1,3-dione
CID 161218746
3-chloro-4-(6-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 24905119
3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308770
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 10661694
1-[(4-tert-butylphenyl)methyl]-3,4-bis(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149578

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione (CID 22308775) is 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione is COc1ccc2[nH]cc(C3=C(c4c[nH]c5cc(Cl)ccc45)C(=O)NC3=O)c2c1.
What is the InChIKey of 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is NGXOSGKKRLWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O3/c1-28-11-3-5-16-13(7-11)15(9-23-16)19-18(20(26)25-21(19)27)14-8-24-17-6-10(22)2-4-12(14)17/h2-9,23-24H,1H3,(H,25,26,27).
What are the key properties of 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 391.81 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22308775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).