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

C16H20N4O — CID 65463226

IUPAC2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCC1(C)CNCCN1c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C16H20N4O/c1-16(2)10-18-7-8-20(16)14-9-12(15(17)21)11-5-3-4-6-13(11)19-14/h3-6,9,18H,7-8,10H2,1-2H3,(H2,17,21)
InChIKeyPLZHUCWFCSRJDO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.52
Rot. Bonds2

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

2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 65463226) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID65463226
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCC1(C)CNCCN1c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C16H20N4O/c1-16(2)10-18-7-8-20(16)14-9-12(15(17)21)11-5-3-4-6-13(11)19-14/h3-6,9,18H,7-8,10H2,1-2H3,(H2,17,21)
InChIKeyPLZHUCWFCSRJDO-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

Analyze 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide (CID 65463226) is 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide is CC1(C)CNCCN1c1cc(C(N)=O)c2ccccc2n1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is PLZHUCWFCSRJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2)10-18-7-8-20(16)14-9-12(15(17)21)11-5-3-4-6-13(11)19-14/h3-6,9,18H,7-8,10H2,1-2H3,(H2,17,21).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide?
2-(2,2-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-(2,2-dimethylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 65463226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).