tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate

C16H20FN3O4 — CID 67131150

IUPACtert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
SMILESCOc1cnc2ccc(F)c(C(CO)NC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C16H20FN3O4/c1-16(2,3)24-15(22)19-11(8-21)13-9(17)5-6-10-14(13)20-12(23-4)7-18-10/h5-7,11,21H,8H2,1-4H3,(H,19,22)
InChIKeyGOPMBQVRRQKDJX-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate

tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate (PubChem CID 67131150) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
PubChem CID67131150
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Nametert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
SMILESCOc1cnc2ccc(F)c(C(CO)NC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C16H20FN3O4/c1-16(2,3)24-15(22)19-11(8-21)13-9(17)5-6-10-14(13)20-12(23-4)7-18-10/h5-7,11,21H,8H2,1-4H3,(H,19,22)
InChIKeyGOPMBQVRRQKDJX-UHFFFAOYSA-N
XLogP2.34
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate (CID 67131150) is tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate is COc1cnc2ccc(F)c(C(CO)NC(=O)OC(C)(C)C)c2n1.
What is the InChIKey of tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
The InChIKey is GOPMBQVRRQKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-16(2,3)24-15(22)19-11(8-21)13-9(17)5-6-10-14(13)20-12(23-4)7-18-10/h5-7,11,21H,8H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate has a molecular weight of 337.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 67131150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).