1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C21H25FN4O — CID 3230377

IUPAC1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25FN4O/c1-16-5-6-17-14-18(22)7-8-19(17)26(16)21(27)15-24-10-12-25(13-11-24)20-4-2-3-9-23-20/h2-4,7-9,14,16H,5-6,10-13,15H2,1H3
InChIKeyONVAONBHWNVSJQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.71
Rot. Bonds3

About 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 3230377) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID3230377
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25FN4O/c1-16-5-6-17-14-18(22)7-8-19(17)26(16)21(27)15-24-10-12-25(13-11-24)20-4-2-3-9-23-20/h2-4,7-9,14,16H,5-6,10-13,15H2,1H3
InChIKeyONVAONBHWNVSJQ-UHFFFAOYSA-N
XLogP2.71
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2932548
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 99831437
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-methyl-4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55627224
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 5220666
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 71229214
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
2-(4-chlorophenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40591218

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 3230377) is 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CC1CCc2cc(F)ccc2N1C(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ONVAONBHWNVSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-16-5-6-17-14-18(22)7-8-19(17)26(16)21(27)15-24-10-12-25(13-11-24)20-4-2-3-9-23-20/h2-4,7-9,14,16H,5-6,10-13,15H2,1H3.
What are the key properties of 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 368.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 3230377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).