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

C16H20FN3O4 — CID 67131153

IUPACtert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
SMILESCOc1cnc2ccc(F)c([C@@H](O)CNC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C16H20FN3O4/c1-16(2,3)24-15(22)19-7-11(21)13-9(17)5-6-10-14(13)20-12(23-4)8-18-10/h5-6,8,11,21H,7H2,1-4H3,(H,19,22)/t11-/m0/s1
InChIKeyZFFWUQWWQPSRMA-NSHDSACASA-N
MW337.35 g/mol
LogP2.34
Rot. Bonds4

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

tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate (PubChem CID 67131153) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
PubChem CID67131153
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Nametert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate
SMILESCOc1cnc2ccc(F)c([C@@H](O)CNC(=O)OC(C)(C)C)c2n1
InChIInChI=1S/C16H20FN3O4/c1-16(2,3)24-15(22)19-7-11(21)13-9(17)5-6-10-14(13)20-12(23-4)8-18-10/h5-6,8,11,21H,7H2,1-4H3,(H,19,22)/t11-/m0/s1
InChIKeyZFFWUQWWQPSRMA-NSHDSACASA-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

Analyze tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 87573780
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]-2-thiabicyclo[2.2.2]octan-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 71181501
2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 158814860
[1-tert-butyl-1-[2-(6-fluoro-3-methoxyquinoxalin-5-yl)-3-hydroxypropyl]piperidin-1-ium-4-yl]carbamic acid
CID 69279597
tert-butyl N-[(4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxypropyl]-4-hydroxypiperidin-3-yl]carbamate
CID 70883923
[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
CID 177226897
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]propanoate
CID 68529583
tert-butyl N-[2-hydroxy-2-(5-isocyano-2-pyridinyl)ethyl]carbamate
CID 21064725
tert-butyl N-[2-[4-[3-(2,5-difluorophenyl)prop-2-enylamino]cyclohexyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 67443195
tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68618535
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate (CID 67131153) is tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate is COc1cnc2ccc(F)c([C@@H](O)CNC(=O)OC(C)(C)C)c2n1.
What is the InChIKey of tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
The InChIKey is ZFFWUQWWQPSRMA-NSHDSACASA-N. The full InChI is InChI=1S/C16H20FN3O4/c1-16(2,3)24-15(22)19-7-11(21)13-9(17)5-6-10-14(13)20-12(23-4)8-18-10/h5-6,8,11,21H,7H2,1-4H3,(H,19,22)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate?
tert-butyl N-[(2R)-2-(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-[(2R)-2-(6-fluoro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 67131153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).