2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline

C17H17N5 — CID 7033665

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESc1cnc(N2CCN(c3ccc4ccccc4n3)CC2)nc1
InChIInChI=1S/C17H17N5/c1-2-5-15-14(4-1)6-7-16(20-15)21-10-12-22(13-11-21)17-18-8-3-9-19-17/h1-9H,10-13H2
InChIKeyYJVPHQFVPIMSIN-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.35
Rot. Bonds2

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline

2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (PubChem CID 7033665) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
PubChem CID7033665
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
SMILESc1cnc(N2CCN(c3ccc4ccccc4n3)CC2)nc1
InChIInChI=1S/C17H17N5/c1-2-5-15-14(4-1)6-7-16(20-15)21-10-12-22(13-11-21)17-18-8-3-9-19-17/h1-9H,10-13H2
InChIKeyYJVPHQFVPIMSIN-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline (CID 7033665) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is c1cnc(N2CCN(c3ccc4ccccc4n3)CC2)nc1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is YJVPHQFVPIMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-5-15-14(4-1)6-7-16(20-15)21-10-12-22(13-11-21)17-18-8-3-9-19-17/h1-9H,10-13H2.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline?
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 291.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 7033665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).