[4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol

C18H19N5O — CID 11834218

IUPAC[4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ccc4ccccc4n3)CC2)n1
InChIInChI=1S/C18H19N5O/c24-13-16-19-8-7-18(21-16)23-11-9-22(10-12-23)17-6-5-14-3-1-2-4-15(14)20-17/h1-8,24H,9-13H2
InChIKeyBEZFVDUZFACHTM-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.84
Rot. Bonds3

About [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol

[4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (PubChem CID 11834218) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
PubChem CID11834218
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ccc4ccccc4n3)CC2)n1
InChIInChI=1S/C18H19N5O/c24-13-16-19-8-7-18(21-16)23-11-9-22(10-12-23)17-6-5-14-3-1-2-4-15(14)20-17/h1-8,24H,9-13H2
InChIKeyBEZFVDUZFACHTM-UHFFFAOYSA-N
XLogP1.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (CID 11834218) is [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3ccc4ccccc4n3)CC2)n1.
What is the InChIKey of [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The InChIKey is BEZFVDUZFACHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-13-16-19-8-7-18(21-16)23-11-9-22(10-12-23)17-6-5-14-3-1-2-4-15(14)20-17/h1-8,24H,9-13H2.
What are the key properties of [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
[4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol has a molecular weight of 321.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-quinolin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 11834218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).