4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile

C25H26N4O2 — CID 118273555

IUPAC4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile
SMILESCC(C)(C)N1CCN(C(=O)c2ccc3cc(Oc4ccc(C#N)cc4)ccc3n2)CC1
InChIInChI=1S/C25H26N4O2/c1-25(2,3)29-14-12-28(13-15-29)24(30)23-10-6-19-16-21(9-11-22(19)27-23)31-20-7-4-18(17-26)5-8-20/h4-11,16H,12-15H2,1-3H3
InChIKeyPXBHZEYGAOODIR-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.46
Rot. Bonds3

About 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile

4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile (PubChem CID 118273555) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile
PubChem CID118273555
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile
SMILESCC(C)(C)N1CCN(C(=O)c2ccc3cc(Oc4ccc(C#N)cc4)ccc3n2)CC1
InChIInChI=1S/C25H26N4O2/c1-25(2,3)29-14-12-28(13-15-29)24(30)23-10-6-19-16-21(9-11-22(19)27-23)31-20-7-4-18(17-26)5-8-20/h4-11,16H,12-15H2,1-3H3
InChIKeyPXBHZEYGAOODIR-UHFFFAOYSA-N
XLogP4.46
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
The IUPAC name of 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile (CID 118273555) is 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
The canonical SMILES for 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile is CC(C)(C)N1CCN(C(=O)c2ccc3cc(Oc4ccc(C#N)cc4)ccc3n2)CC1.
What is the InChIKey of 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
The InChIKey is PXBHZEYGAOODIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-25(2,3)29-14-12-28(13-15-29)24(30)23-10-6-19-16-21(9-11-22(19)27-23)31-20-7-4-18(17-26)5-8-20/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile?
4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile has a molecular weight of 414.51 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile is sourced from PubChem (CID 118273555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).