N-(3-piperazin-1-ylpropyl)quinolin-4-amine

C16H22N4 — CID 61339738

IUPACN-(3-piperazin-1-ylpropyl)quinolin-4-amine
SMILESc1ccc2c(NCCCN3CCNCC3)ccnc2c1
InChIInChI=1S/C16H22N4/c1-2-5-15-14(4-1)16(6-8-19-15)18-7-3-11-20-12-9-17-10-13-20/h1-2,4-6,8,17H,3,7,9-13H2,(H,18,19)
InChIKeyZICKMBIKWRQQCY-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.94
Rot. Bonds5

About N-(3-piperazin-1-ylpropyl)quinolin-4-amine

N-(3-piperazin-1-ylpropyl)quinolin-4-amine (PubChem CID 61339738) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)quinolin-4-amine
PubChem CID61339738
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(3-piperazin-1-ylpropyl)quinolin-4-amine
SMILESc1ccc2c(NCCCN3CCNCC3)ccnc2c1
InChIInChI=1S/C16H22N4/c1-2-5-15-14(4-1)16(6-8-19-15)18-7-3-11-20-12-9-17-10-13-20/h1-2,4-6,8,17H,3,7,9-13H2,(H,18,19)
InChIKeyZICKMBIKWRQQCY-UHFFFAOYSA-N
XLogP1.94
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
CID 115230477
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
CID 81232397
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)quinolin-4-amine?
The IUPAC name of N-(3-piperazin-1-ylpropyl)quinolin-4-amine (CID 61339738) is N-(3-piperazin-1-ylpropyl)quinolin-4-amine.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)quinolin-4-amine?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)quinolin-4-amine is c1ccc2c(NCCCN3CCNCC3)ccnc2c1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)quinolin-4-amine?
The InChIKey is ZICKMBIKWRQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-5-15-14(4-1)16(6-8-19-15)18-7-3-11-20-12-9-17-10-13-20/h1-2,4-6,8,17H,3,7,9-13H2,(H,18,19).
What are the key properties of N-(3-piperazin-1-ylpropyl)quinolin-4-amine?
N-(3-piperazin-1-ylpropyl)quinolin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 61339738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).