2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone

C16H19N3O — CID 110490371

IUPAC2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone
SMILESCc1ccc2nc(CC(=O)N3CCNCC3)ccc2c1
InChIInChI=1S/C16H19N3O/c1-12-2-5-15-13(10-12)3-4-14(18-15)11-16(20)19-8-6-17-7-9-19/h2-5,10,17H,6-9,11H2,1H3
InChIKeyMPRXYCYPMDUCJM-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.52
Rot. Bonds2

About 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone

2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone (PubChem CID 110490371) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone
PubChem CID110490371
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone
SMILESCc1ccc2nc(CC(=O)N3CCNCC3)ccc2c1
InChIInChI=1S/C16H19N3O/c1-12-2-5-15-13(10-12)3-4-14(18-15)11-16(20)19-8-6-17-7-9-19/h2-5,10,17H,6-9,11H2,1H3
InChIKeyMPRXYCYPMDUCJM-UHFFFAOYSA-N
XLogP1.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110490426
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 62875775
2-[[2-(6-methylquinolin-2-yl)acetyl]amino]acetic acid
CID 110490348
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
2-(iodomethyl)-6-methylquinoline
CID 138975713
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
4-methyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 62309036

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone (CID 110490371) is 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone is Cc1ccc2nc(CC(=O)N3CCNCC3)ccc2c1.
What is the InChIKey of 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is MPRXYCYPMDUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-2-5-15-13(10-12)3-4-14(18-15)11-16(20)19-8-6-17-7-9-19/h2-5,10,17H,6-9,11H2,1H3.
What are the key properties of 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone?
2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 269.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylquinolin-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 110490371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).