3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine

C24H29N5 — CID 60170758

IUPAC3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(CC1)C2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3
InChIInChI=1S/C24H29N5/c1-27(2)12-7-13-28-14-16-29(17-15-28)24-19-9-4-6-11-21(19)25-22-18-8-3-5-10-20(18)26-23(22)24/h3-6,8-11,26H,7,12-17H2,1-2H3
InChIKeyABVLNNAUTIXSKR-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.70
Rot. Bonds5

About 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 60170758) has the molecular formula C24H29N5 and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID60170758
Molecular FormulaC24H29N5
Molecular Weight387.50 g/mol
Exact Mass387.24
IUPAC Name3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCN(CC1)C2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3
InChIInChI=1S/C24H29N5/c1-27(2)12-7-13-28-14-16-29(17-15-28)24-19-9-4-6-11-21(19)25-22-18-8-3-5-10-20(18)26-23(22)24/h3-6,8-11,26H,7,12-17H2,1-2H3
InChIKeyABVLNNAUTIXSKR-UHFFFAOYSA-N
XLogP3.70
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity531

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 60170758) is 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCN(CC1)C2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3.
What is the InChIKey of 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ABVLNNAUTIXSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-27(2)12-7-13-28-14-16-29(17-15-28)24-19-9-4-6-11-21(19)25-22-18-8-3-5-10-20(18)26-23(22)24/h3-6,8-11,26H,7,12-17H2,1-2H3.
What are the key properties of 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 387.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(10H-indolo[3,2-b]quinolin-11-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 60170758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).