2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline

C21H26FN3 — CID 139663422

IUPAC2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC1CCc2nc(-c3ccc(F)cc3)cc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C21H26FN3/c1-15-3-8-19-18(13-15)21(25-11-9-24(2)10-12-25)14-20(23-19)16-4-6-17(22)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyJKELCNHCAWHYCR-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.76
Rot. Bonds2

About 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline

2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 139663422) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID139663422
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC1CCc2nc(-c3ccc(F)cc3)cc(N3CCN(C)CC3)c2C1
InChIInChI=1S/C21H26FN3/c1-15-3-8-19-18(13-15)21(25-11-9-24(2)10-12-25)14-20(23-19)16-4-6-17(22)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyJKELCNHCAWHYCR-UHFFFAOYSA-N
XLogP3.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline (CID 139663422) is 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline is CC1CCc2nc(-c3ccc(F)cc3)cc(N3CCN(C)CC3)c2C1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is JKELCNHCAWHYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3/c1-15-3-8-19-18(13-15)21(25-11-9-24(2)10-12-25)14-20(23-19)16-4-6-17(22)7-5-16/h4-7,14-15H,3,8-13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline?
2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 339.46 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 139663422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).