3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione

C35H30N6O3 — CID 10303726

IUPAC3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ccccc23)=C1c1cn(-c2cnc3ccccc3c2)c2ccccc12
InChIInChI=1S/C35H30N6O3/c42-34-31(27-22-40(29-12-5-2-9-25(27)29)24-20-23-8-1-4-11-28(23)36-21-24)32(35(43)37-34)33-26-10-3-6-13-30(26)41(38-33)15-7-14-39-16-18-44-19-17-39/h1-6,8-13,20-22H,7,14-19H2,(H,37,42,43)
InChIKeyFFACDKNFPHDNIP-UHFFFAOYSA-N
MW582.66 g/mol
LogP4.82
Rot. Bonds7

About 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione

3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione (PubChem CID 10303726) has the molecular formula C35H30N6O3 and a molecular weight of 582.66 g/mol. Its IUPAC name is 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione
PubChem CID10303726
Molecular FormulaC35H30N6O3
Molecular Weight582.66 g/mol
Exact Mass582.24
IUPAC Name3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ccccc23)=C1c1cn(-c2cnc3ccccc3c2)c2ccccc12
InChIInChI=1S/C35H30N6O3/c42-34-31(27-22-40(29-12-5-2-9-25(27)29)24-20-23-8-1-4-11-28(23)36-21-24)32(35(43)37-34)33-26-10-3-6-13-30(26)41(38-33)15-7-14-39-16-18-44-19-17-39/h1-6,8-13,20-22H,7,14-19H2,(H,37,42,43)
InChIKeyFFACDKNFPHDNIP-UHFFFAOYSA-N
XLogP4.82
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.66
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione (CID 10303726) is 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ccccc23)=C1c1cn(-c2cnc3ccccc3c2)c2ccccc12.
What is the InChIKey of 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is FFACDKNFPHDNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N6O3/c42-34-31(27-22-40(29-12-5-2-9-25(27)29)24-20-23-8-1-4-11-28(23)36-21-24)32(35(43)37-34)33-26-10-3-6-13-30(26)41(38-33)15-7-14-39-16-18-44-19-17-39/h1-6,8-13,20-22H,7,14-19H2,(H,37,42,43).
What are the key properties of 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione?
3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 582.66 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]-4-(1-quinolin-3-ylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10303726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).