1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol

C19H22N6O — CID 22088662

IUPAC1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(c3cnc4ccccc4n3)C(C)C2)n1
InChIInChI=1S/C19H22N6O/c1-13-12-24(17-7-8-20-19(23-17)14(2)26)9-10-25(13)18-11-21-15-5-3-4-6-16(15)22-18/h3-8,11,13-14,26H,9-10,12H2,1-2H3
InChIKeyNTINFSTYXXIIBQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.19
Rot. Bonds3

About 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol

1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol (PubChem CID 22088662) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
PubChem CID22088662
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
SMILESCC(O)c1nccc(N2CCN(c3cnc4ccccc4n3)C(C)C2)n1
InChIInChI=1S/C19H22N6O/c1-13-12-24(17-7-8-20-19(23-17)14(2)26)9-10-25(13)18-11-21-15-5-3-4-6-16(15)22-18/h3-8,11,13-14,26H,9-10,12H2,1-2H3
InChIKeyNTINFSTYXXIIBQ-UHFFFAOYSA-N
XLogP2.19
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The IUPAC name of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol (CID 22088662) is 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol is CC(O)c1nccc(N2CCN(c3cnc4ccccc4n3)C(C)C2)n1.
What is the InChIKey of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
The InChIKey is NTINFSTYXXIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-12-24(17-7-8-20-19(23-17)14(2)26)9-10-25(13)18-11-21-15-5-3-4-6-16(15)22-18/h3-8,11,13-14,26H,9-10,12H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol?
1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol has a molecular weight of 350.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 22088662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).