2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile

C17H18N4 — CID 11256632

IUPAC2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C17H18N4/c18-12-13-1-5-16-14(11-13)2-6-17(19-16)21-9-7-20(8-10-21)15-3-4-15/h1-2,5-6,11,15H,3-4,7-10H2
InChIKeyXDRABJSEVOSBLL-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.39
Rot. Bonds2

About 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile

2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile (PubChem CID 11256632) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile
PubChem CID11256632
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1
InChIInChI=1S/C17H18N4/c18-12-13-1-5-16-14(11-13)2-6-17(19-16)21-9-7-20(8-10-21)15-3-4-15/h1-2,5-6,11,15H,3-4,7-10H2
InChIKeyXDRABJSEVOSBLL-UHFFFAOYSA-N
XLogP2.39
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile (CID 11256632) is 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile is N#Cc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile?
The InChIKey is XDRABJSEVOSBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-12-13-1-5-16-14(11-13)2-6-17(19-16)21-9-7-20(8-10-21)15-3-4-15/h1-2,5-6,11,15H,3-4,7-10H2.
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile?
2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)quinoline-6-carbonitrile is sourced from PubChem (CID 11256632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).