2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide

C16H20N4O — CID 63884867

IUPAC2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCC1CN(c2cc(C(N)=O)c3ccccc3n2)CC(C)N1
InChIInChI=1S/C16H20N4O/c1-10-8-20(9-11(2)18-10)15-7-13(16(17)21)12-5-3-4-6-14(12)19-15/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,21)
InChIKeyUOHXSKZPIDHAJE-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.52
Rot. Bonds2

About 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide

2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 63884867) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID63884867
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCC1CN(c2cc(C(N)=O)c3ccccc3n2)CC(C)N1
InChIInChI=1S/C16H20N4O/c1-10-8-20(9-11(2)18-10)15-7-13(16(17)21)12-5-3-4-6-14(12)19-15/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,21)
InChIKeyUOHXSKZPIDHAJE-UHFFFAOYSA-N
XLogP1.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide (CID 63884867) is 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide is CC1CN(c2cc(C(N)=O)c3ccccc3n2)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is UOHXSKZPIDHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-8-20(9-11(2)18-10)15-7-13(16(17)21)12-5-3-4-6-14(12)19-15/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,21).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 63884867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).