8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine

C17H24N4 — CID 62774223

IUPAC8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine
SMILESCCC(C)N1CCN(c2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H24N4/c1-3-13(2)20-9-11-21(12-10-20)16-7-6-15(18)14-5-4-8-19-17(14)16/h4-8,13H,3,9-12,18H2,1-2H3
InChIKeyQVYQAYOIFBNGGJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.74
Rot. Bonds3

About 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine

8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine (PubChem CID 62774223) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine.

Molecular Properties

Compound Name8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine
PubChem CID62774223
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine
SMILESCCC(C)N1CCN(c2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C17H24N4/c1-3-13(2)20-9-11-21(12-10-20)16-7-6-15(18)14-5-4-8-19-17(14)16/h4-8,13H,3,9-12,18H2,1-2H3
InChIKeyQVYQAYOIFBNGGJ-UHFFFAOYSA-N
XLogP2.74
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine?
The IUPAC name of 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine (CID 62774223) is 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine.
What is the SMILES notation for 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine?
The canonical SMILES for 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine is CCC(C)N1CCN(c2ccc(N)c3cccnc23)CC1.
What is the InChIKey of 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine?
The InChIKey is QVYQAYOIFBNGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-13(2)20-9-11-21(12-10-20)16-7-6-15(18)14-5-4-8-19-17(14)16/h4-8,13H,3,9-12,18H2,1-2H3.
What are the key properties of 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine?
8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine has a molecular weight of 284.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-butan-2-ylpiperazin-1-yl)quinolin-5-amine is sourced from PubChem (CID 62774223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).