1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone

C16H19N3O — CID 110644990

IUPAC1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3ccccc3cc2C)CC1
InChIInChI=1S/C16H19N3O/c1-12-11-14-5-3-4-6-15(14)17-16(12)19-9-7-18(8-10-19)13(2)20/h3-6,11H,7-10H2,1-2H3
InChIKeyNTTPTLLKDZCPDR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.21
Rot. Bonds1

About 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone

1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone (PubChem CID 110644990) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
PubChem CID110644990
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3ccccc3cc2C)CC1
InChIInChI=1S/C16H19N3O/c1-12-11-14-5-3-4-6-15(14)17-16(12)19-9-7-18(8-10-19)13(2)20/h3-6,11H,7-10H2,1-2H3
InChIKeyNTTPTLLKDZCPDR-UHFFFAOYSA-N
XLogP2.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
CID 110644995
1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
CID 28965186
4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 133391264
3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 63229377
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-3-methylquinoline
CID 110420550
ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate
CID 133387250
(3S,4S)-1-(3-methylquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063809
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline
CID 110645042
2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854935

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone (CID 110644990) is 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc3ccccc3cc2C)CC1.
What is the InChIKey of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is NTTPTLLKDZCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-11-14-5-3-4-6-15(14)17-16(12)19-9-7-18(8-10-19)13(2)20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone?
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 269.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110644990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).