2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline

C23H27N5O3 — CID 71457356

IUPAC2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline
SMILESCc1nc2ccccc2nc1OCc1cc(OC2CCOCC2)nc(N2CCCC2)n1
InChIInChI=1S/C23H27N5O3/c1-16-22(26-20-7-3-2-6-19(20)24-16)30-15-17-14-21(31-18-8-12-29-13-9-18)27-23(25-17)28-10-4-5-11-28/h2-3,6-7,14,18H,4-5,8-13,15H2,1H3
InChIKeyOEOOJXARIPUPTL-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.47
Rot. Bonds6

About 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline

2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline (PubChem CID 71457356) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline
PubChem CID71457356
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline
SMILESCc1nc2ccccc2nc1OCc1cc(OC2CCOCC2)nc(N2CCCC2)n1
InChIInChI=1S/C23H27N5O3/c1-16-22(26-20-7-3-2-6-19(20)24-16)30-15-17-14-21(31-18-8-12-29-13-9-18)27-23(25-17)28-10-4-5-11-28/h2-3,6-7,14,18H,4-5,8-13,15H2,1H3
InChIKeyOEOOJXARIPUPTL-UHFFFAOYSA-N
XLogP3.47
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline?
The IUPAC name of 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline (CID 71457356) is 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline.
What is the SMILES notation for 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline?
The canonical SMILES for 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline is Cc1nc2ccccc2nc1OCc1cc(OC2CCOCC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline?
The InChIKey is OEOOJXARIPUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16-22(26-20-7-3-2-6-19(20)24-16)30-15-17-14-21(31-18-8-12-29-13-9-18)27-23(25-17)28-10-4-5-11-28/h2-3,6-7,14,18H,4-5,8-13,15H2,1H3.
What are the key properties of 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline?
2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline has a molecular weight of 421.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[6-(oxan-4-yloxy)-2-pyrrolidin-1-ylpyrimidin-4-yl]methoxy]quinoxaline is sourced from PubChem (CID 71457356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).