6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile

C16H18N4 — CID 654577

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1
InChIInChI=1S/C16H18N4/c1-12-3-4-15-13(9-12)10-14(11-17)16(18-15)20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyFDLYLYRMFNHKGB-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.17
Rot. Bonds1

About 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile

6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile (PubChem CID 654577) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile
PubChem CID654577
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1
InChIInChI=1S/C16H18N4/c1-12-3-4-15-13(9-12)10-14(11-17)16(18-15)20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3
InChIKeyFDLYLYRMFNHKGB-UHFFFAOYSA-N
XLogP2.17
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile (CID 654577) is 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile is Cc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The InChIKey is FDLYLYRMFNHKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-3-4-15-13(9-12)10-14(11-17)16(18-15)20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 654577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).