methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane

C18H20N5P — CID 174183144

IUPACmethyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane
SMILESCPc1ccc2ncc(-c3ccnc(N4CCNCC4)n3)cc2c1
InChIInChI=1S/C18H20N5P/c1-24-15-2-3-16-13(11-15)10-14(12-21-16)17-4-5-20-18(22-17)23-8-6-19-7-9-23/h2-5,10-12,19,24H,6-9H2,1H3
InChIKeyADELWGKGUFNGTF-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.04
Rot. Bonds3

About methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane

methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane (PubChem CID 174183144) has the molecular formula C18H20N5P and a molecular weight of 337.37 g/mol. Its IUPAC name is methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane.

Molecular Properties

Compound Namemethyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane
PubChem CID174183144
Molecular FormulaC18H20N5P
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Namemethyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane
SMILESCPc1ccc2ncc(-c3ccnc(N4CCNCC4)n3)cc2c1
InChIInChI=1S/C18H20N5P/c1-24-15-2-3-16-13(11-15)10-14(12-21-16)17-4-5-20-18(22-17)23-8-6-19-7-9-23/h2-5,10-12,19,24H,6-9H2,1H3
InChIKeyADELWGKGUFNGTF-UHFFFAOYSA-N
XLogP2.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane?
The IUPAC name of methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane (CID 174183144) is methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane.
What is the SMILES notation for methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane?
The canonical SMILES for methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane is CPc1ccc2ncc(-c3ccnc(N4CCNCC4)n3)cc2c1.
What is the InChIKey of methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane?
The InChIKey is ADELWGKGUFNGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N5P/c1-24-15-2-3-16-13(11-15)10-14(12-21-16)17-4-5-20-18(22-17)23-8-6-19-7-9-23/h2-5,10-12,19,24H,6-9H2,1H3.
What are the key properties of methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane?
methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane has a molecular weight of 337.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(2-piperazin-1-ylpyrimidin-4-yl)quinolin-6-yl]phosphane is sourced from PubChem (CID 174183144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).