8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline

C26H32N4O — CID 171780511

IUPAC8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline
SMILESCOc1ccc2c(c1)c1ncc3ccccc3c1n2CCCN1CCN(C(C)C)CC1
InChIInChI=1S/C26H32N4O/c1-19(2)29-15-13-28(14-16-29)11-6-12-30-24-10-9-21(31-3)17-23(24)25-26(30)22-8-5-4-7-20(22)18-27-25/h4-5,7-10,17-19H,6,11-16H2,1-3H3
InChIKeyIGFPHANFAGRIHQ-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.77
Rot. Bonds6

About 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline

8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline (PubChem CID 171780511) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline
PubChem CID171780511
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline
SMILESCOc1ccc2c(c1)c1ncc3ccccc3c1n2CCCN1CCN(C(C)C)CC1
InChIInChI=1S/C26H32N4O/c1-19(2)29-15-13-28(14-16-29)11-6-12-30-24-10-9-21(31-3)17-23(24)25-26(30)22-8-5-4-7-20(22)18-27-25/h4-5,7-10,17-19H,6,11-16H2,1-3H3
InChIKeyIGFPHANFAGRIHQ-UHFFFAOYSA-N
XLogP4.77
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline 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 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
The IUPAC name of 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline (CID 171780511) is 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline.
What is the SMILES notation for 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
The canonical SMILES for 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline is COc1ccc2c(c1)c1ncc3ccccc3c1n2CCCN1CCN(C(C)C)CC1.
What is the InChIKey of 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
The InChIKey is IGFPHANFAGRIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-19(2)29-15-13-28(14-16-29)11-6-12-30-24-10-9-21(31-3)17-23(24)25-26(30)22-8-5-4-7-20(22)18-27-25/h4-5,7-10,17-19H,6,11-16H2,1-3H3.
What are the key properties of 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline has a molecular weight of 416.57 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-11-[3-(4-propan-2-ylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline is sourced from PubChem (CID 171780511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).