6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline

C17H16ClN5O2 — CID 163349464

IUPAC6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
SMILESCOc1cnc(OC2CCN(c3cnc4cc(Cl)ccc4n3)C2)nc1
InChIInChI=1S/C17H16ClN5O2/c1-24-13-7-20-17(21-8-13)25-12-4-5-23(10-12)16-9-19-15-6-11(18)2-3-14(15)22-16/h2-3,6-9,12H,4-5,10H2,1H3
InChIKeyGTFUEEVQVZVAPG-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.74
Rot. Bonds4

About 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline

6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline (PubChem CID 163349464) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline.

Molecular Properties

Compound Name6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
PubChem CID163349464
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
SMILESCOc1cnc(OC2CCN(c3cnc4cc(Cl)ccc4n3)C2)nc1
InChIInChI=1S/C17H16ClN5O2/c1-24-13-7-20-17(21-8-13)25-12-4-5-23(10-12)16-9-19-15-6-11(18)2-3-14(15)22-16/h2-3,6-9,12H,4-5,10H2,1H3
InChIKeyGTFUEEVQVZVAPG-UHFFFAOYSA-N
XLogP2.74
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline?
The IUPAC name of 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline (CID 163349464) is 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline.
What is the SMILES notation for 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline?
The canonical SMILES for 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline is COc1cnc(OC2CCN(c3cnc4cc(Cl)ccc4n3)C2)nc1.
What is the InChIKey of 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline?
The InChIKey is GTFUEEVQVZVAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-24-13-7-20-17(21-8-13)25-12-4-5-23(10-12)16-9-19-15-6-11(18)2-3-14(15)22-16/h2-3,6-9,12H,4-5,10H2,1H3.
What are the key properties of 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline?
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline has a molecular weight of 357.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline is sourced from PubChem (CID 163349464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).