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

C24H28N4O — CID 171780504

IUPAC8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline
SMILESCOc1ccc2c(c1)c1ncc3ccccc3c1n2CCCN1CCN(C)CC1
InChIInChI=1S/C24H28N4O/c1-26-12-14-27(15-13-26)10-5-11-28-22-9-8-19(29-2)16-21(22)23-24(28)20-7-4-3-6-18(20)17-25-23/h3-4,6-9,16-17H,5,10-15H2,1-2H3
InChIKeyZCVRQUFVLPLSRJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.99
Rot. Bonds5

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

8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline (PubChem CID 171780504) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline
PubChem CID171780504
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline
SMILESCOc1ccc2c(c1)c1ncc3ccccc3c1n2CCCN1CCN(C)CC1
InChIInChI=1S/C24H28N4O/c1-26-12-14-27(15-13-26)10-5-11-28-22-9-8-19(29-2)16-21(22)23-24(28)20-7-4-3-6-18(20)17-25-23/h3-4,6-9,16-17H,5,10-15H2,1-2H3
InChIKeyZCVRQUFVLPLSRJ-UHFFFAOYSA-N
XLogP3.99
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
The IUPAC name of 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline (CID 171780504) is 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline.
What is the SMILES notation for 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
The canonical SMILES for 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline is COc1ccc2c(c1)c1ncc3ccccc3c1n2CCCN1CCN(C)CC1.
What is the InChIKey of 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
The InChIKey is ZCVRQUFVLPLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-26-12-14-27(15-13-26)10-5-11-28-22-9-8-19(29-2)16-21(22)23-24(28)20-7-4-3-6-18(20)17-25-23/h3-4,6-9,16-17H,5,10-15H2,1-2H3.
What are the key properties of 8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline?
8-methoxy-11-[3-(4-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline has a molecular weight of 388.52 g/mol, XLogP of 3.99, 5 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-methylpiperazin-1-yl)propyl]indolo[3,2-c]isoquinoline is sourced from PubChem (CID 171780504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).