5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride

C24H31ClN4 — CID 11567753

IUPAC5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCN2
InChIInChI=1S/C24H30N4.ClH/c1-2-9-22-20(7-1)19(18-26-22)6-5-13-27-14-16-28(17-15-27)24-11-3-10-23-21(24)8-4-12-25-23;/h1-3,7,9-11,18,25-26H,4-6,8,12-17H2;1H
InChIKeyMDWZVASMNXJVBE-UHFFFAOYSA-N
MW410.99 g/mol
LogP4.70
Rot. Bonds5

About 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride

5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 11567753) has the molecular formula C24H31ClN4 and a molecular weight of 410.99 g/mol. Its IUPAC name is 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID11567753
Molecular FormulaC24H31ClN4
Molecular Weight410.99 g/mol
Exact Mass410.22
IUPAC Name5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCN2
InChIInChI=1S/C24H30N4.ClH/c1-2-9-22-20(7-1)19(18-26-22)6-5-13-27-14-16-28(17-15-27)24-11-3-10-23-21(24)8-4-12-25-23;/h1-3,7,9-11,18,25-26H,4-6,8,12-17H2;1H
InChIKeyMDWZVASMNXJVBE-UHFFFAOYSA-N
XLogP4.70
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride with MolForge

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Related Compounds

6-chloro-3-[2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]ethyl]-1H-indole
CID 22462261
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
8-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 11553516
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]phenoxy]-N,N-dimethylaniline
CID 10226137
4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole
CID 141091044
2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole
CID 155606108
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10276872
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 11567753) is 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride is Cl.c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCN2.
What is the InChIKey of 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is MDWZVASMNXJVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4.ClH/c1-2-9-22-20(7-1)19(18-26-22)6-5-13-27-14-16-28(17-15-27)24-11-3-10-23-21(24)8-4-12-25-23;/h1-3,7,9-11,18,25-26H,4-6,8,12-17H2;1H.
What are the key properties of 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 11567753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).