5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline

C18H19N3O — CID 50997456

IUPAC5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cnc3cccc(-c4ccco4)c3c2)CC1
InChIInChI=1S/C18H19N3O/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3
InChIKeyCMLHRRSJRJXSFB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.25
Rot. Bonds2

About 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline

5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline (PubChem CID 50997456) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline
PubChem CID50997456
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cnc3cccc(-c4ccco4)c3c2)CC1
InChIInChI=1S/C18H19N3O/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3
InChIKeyCMLHRRSJRJXSFB-UHFFFAOYSA-N
XLogP3.25
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline (CID 50997456) is 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline is CN1CCN(c2cnc3cccc(-c4ccco4)c3c2)CC1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is CMLHRRSJRJXSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20-7-9-21(10-8-20)14-12-16-15(18-6-3-11-22-18)4-2-5-17(16)19-13-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline?
5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 293.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 50997456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).