2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone

C17H21N3O — CID 115414691

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
SMILESCN1CCN(C)C(CC(=O)c2cnc3ccccc3c2)C1
InChIInChI=1S/C17H21N3O/c1-19-7-8-20(2)15(12-19)10-17(21)14-9-13-5-3-4-6-16(13)18-11-14/h3-6,9,11,15H,7-8,10,12H2,1-2H3
InChIKeyNHHDOPXDFLNRKQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.05
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone

2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone (PubChem CID 115414691) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
PubChem CID115414691
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
SMILESCN1CCN(C)C(CC(=O)c2cnc3ccccc3c2)C1
InChIInChI=1S/C17H21N3O/c1-19-7-8-20(2)15(12-19)10-17(21)14-9-13-5-3-4-6-16(13)18-11-14/h3-6,9,11,15H,7-8,10,12H2,1-2H3
InChIKeyNHHDOPXDFLNRKQ-UHFFFAOYSA-N
XLogP2.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone (CID 115414691) is 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone is CN1CCN(C)C(CC(=O)c2cnc3ccccc3c2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone?
The InChIKey is NHHDOPXDFLNRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-7-8-20(2)15(12-19)10-17(21)14-9-13-5-3-4-6-16(13)18-11-14/h3-6,9,11,15H,7-8,10,12H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone?
2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone has a molecular weight of 283.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone is sourced from PubChem (CID 115414691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).