2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C20H22F2N4O — CID 34010560

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22F2N4O/c21-16-12-15-4-3-7-26(20(15)17(22)13-16)14-19(27)25-10-8-24(9-11-25)18-5-1-2-6-23-18/h1-2,5-6,12-13H,3-4,7-11,14H2
InChIKeyZFPVWECHHANYIF-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.46
Rot. Bonds3

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 34010560) has the molecular formula C20H22F2N4O and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID34010560
Molecular FormulaC20H22F2N4O
Molecular Weight372.42 g/mol
Exact Mass372.18
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCCc2cc(F)cc(F)c21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22F2N4O/c21-16-12-15-4-3-7-26(20(15)17(22)13-16)14-19(27)25-10-8-24(9-11-25)18-5-1-2-6-23-18/h1-2,5-6,12-13H,3-4,7-11,14H2
InChIKeyZFPVWECHHANYIF-UHFFFAOYSA-N
XLogP2.46
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71801682
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-[(2S)-2-phenylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41359979
2-[3-(5-fluoro-2-pyridinyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71572984
2-(2-chloro-6-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8004063

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 34010560) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCCc2cc(F)cc(F)c21)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZFPVWECHHANYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O/c21-16-12-15-4-3-7-26(20(15)17(22)13-16)14-19(27)25-10-8-24(9-11-25)18-5-1-2-6-23-18/h1-2,5-6,12-13H,3-4,7-11,14H2.
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 372.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 34010560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).