8-(4-pentylpiperazin-1-yl)quinoline

C18H25N3 — CID 20649338

IUPAC8-(4-pentylpiperazin-1-yl)quinoline
SMILESCCCCCN1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C18H25N3/c1-2-3-4-11-20-12-14-21(15-13-20)17-9-5-7-16-8-6-10-19-18(16)17/h5-10H,2-4,11-15H2,1H3
InChIKeyJPQPYROBFFZSKP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.55
Rot. Bonds5

About 8-(4-pentylpiperazin-1-yl)quinoline

8-(4-pentylpiperazin-1-yl)quinoline (PubChem CID 20649338) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 8-(4-pentylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name8-(4-pentylpiperazin-1-yl)quinoline
PubChem CID20649338
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name8-(4-pentylpiperazin-1-yl)quinoline
SMILESCCCCCN1CCN(c2cccc3cccnc23)CC1
InChIInChI=1S/C18H25N3/c1-2-3-4-11-20-12-14-21(15-13-20)17-9-5-7-16-8-6-10-19-18(16)17/h5-10H,2-4,11-15H2,1H3
InChIKeyJPQPYROBFFZSKP-UHFFFAOYSA-N
XLogP3.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
CID 10298197
8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline
CID 10895059
6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
CID 142681677
3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 23176302
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
1-(2-chloro-3-pyridinyl)-4-propylpiperazine
CID 174659885

Frequently Asked Questions

What is the IUPAC name of 8-(4-pentylpiperazin-1-yl)quinoline?
The IUPAC name of 8-(4-pentylpiperazin-1-yl)quinoline (CID 20649338) is 8-(4-pentylpiperazin-1-yl)quinoline.
What is the SMILES notation for 8-(4-pentylpiperazin-1-yl)quinoline?
The canonical SMILES for 8-(4-pentylpiperazin-1-yl)quinoline is CCCCCN1CCN(c2cccc3cccnc23)CC1.
What is the InChIKey of 8-(4-pentylpiperazin-1-yl)quinoline?
The InChIKey is JPQPYROBFFZSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-3-4-11-20-12-14-21(15-13-20)17-9-5-7-16-8-6-10-19-18(16)17/h5-10H,2-4,11-15H2,1H3.
What are the key properties of 8-(4-pentylpiperazin-1-yl)quinoline?
8-(4-pentylpiperazin-1-yl)quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pentylpiperazin-1-yl)quinoline is sourced from PubChem (CID 20649338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).