tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate

C21H28FN3O4 — CID 91339553

IUPACtert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate
SMILESCn1c(=O)cnc2ccc(F)c(OCC3CCC(NC(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C21H28FN3O4/c1-21(2,3)29-20(27)24-14-7-5-13(6-8-14)12-28-19-15(22)9-10-16-18(19)25(4)17(26)11-23-16/h9-11,13-14H,5-8,12H2,1-4H3,(H,24,27)
InChIKeyMQHCRERYFKCZLS-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate

tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate (PubChem CID 91339553) has the molecular formula C21H28FN3O4 and a molecular weight of 405.47 g/mol. Its IUPAC name is tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate
PubChem CID91339553
Molecular FormulaC21H28FN3O4
Molecular Weight405.47 g/mol
Exact Mass405.21
IUPAC Nametert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate
SMILESCn1c(=O)cnc2ccc(F)c(OCC3CCC(NC(=O)OC(C)(C)C)CC3)c21
InChIInChI=1S/C21H28FN3O4/c1-21(2,3)29-20(27)24-14-7-5-13(6-8-14)12-28-19-15(22)9-10-16-18(19)25(4)17(26)11-23-16/h9-11,13-14H,5-8,12H2,1-4H3,(H,24,27)
InChIKeyMQHCRERYFKCZLS-UHFFFAOYSA-N
XLogP3.53
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(5-fluoro-3-hydroxy-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]carbamate
CID 86628366
tert-butyl N-[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 86635315
7-fluoro-1-methyl-8-[[4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one;hydrochloride
CID 45377808
7-fluoro-1-methyl-8-[[4-[[3-(methylamino)-4-propan-2-ylphenyl]methylamino]cyclohexyl]methoxy]-1,5-naphthyridin-2-one
CID 143979644
tert-butyl N-[1-[(6-chloro-12-oxo-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-2-yl)methyl]piperidin-4-yl]carbamate
CID 86640652
tert-butyl N-[4-[[4-chloro-6-[1-(3-fluoro-4-methoxyphenyl)pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexyl]carbamate
CID 146561925
tert-butyl N-[1-[[(2R)-6-fluoro-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraen-2-yl]methyl]piperidin-4-yl]carbamate;methyl [(2S)-6-fluoro-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraen-2-yl]methanesulfonate
CID 87545560
tert-butyl N-[4-[[4-chloro-6-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrimidin-5-yl]oxymethyl]cyclohexyl]carbamate
CID 147157776
tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate
CID 86730705
tert-butyl N-[1-[(2,8-dioxo-1,4,9-triazatricyclo[7.3.1.05,13]trideca-3,5(13),6-trien-10-yl)methyl]piperidin-4-yl]carbamate
CID 86649709
tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate
CID 175625005
tert-butyl N-[4-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexyl]carbamate
CID 23298141

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate (CID 91339553) is tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate is Cn1c(=O)cnc2ccc(F)c(OCC3CCC(NC(=O)OC(C)(C)C)CC3)c21.
What is the InChIKey of tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate?
The InChIKey is MQHCRERYFKCZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O4/c1-21(2,3)29-20(27)24-14-7-5-13(6-8-14)12-28-19-15(22)9-10-16-18(19)25(4)17(26)11-23-16/h9-11,13-14H,5-8,12H2,1-4H3,(H,24,27).
What are the key properties of tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate?
tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate has a molecular weight of 405.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(6-fluoro-4-methyl-3-oxoquinoxalin-5-yl)oxymethyl]cyclohexyl]carbamate is sourced from PubChem (CID 91339553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).