tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate

C23H36N6O3 — CID 142406464

IUPACtert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate
SMILESCC1CN(c2ccc3nc(N)c(NCCCCNC(=O)OC(C)(C)C)nc3c2)C[C@H](C)O1
InChIInChI=1S/C23H36N6O3/c1-15-13-29(14-16(2)31-15)17-8-9-18-19(12-17)28-21(20(24)27-18)25-10-6-7-11-26-22(30)32-23(3,4)5/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H2,24,27)(H,25,28)(H,26,30)/t15-,16?/m0/s1
InChIKeyUFJQZJGESBNTIW-VYRBHSGPSA-N
MW444.58 g/mol
LogP3.54
Rot. Bonds7

About tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate

tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate (PubChem CID 142406464) has the molecular formula C23H36N6O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate
PubChem CID142406464
Molecular FormulaC23H36N6O3
Molecular Weight444.58 g/mol
Exact Mass444.28
IUPAC Nametert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate
SMILESCC1CN(c2ccc3nc(N)c(NCCCCNC(=O)OC(C)(C)C)nc3c2)C[C@H](C)O1
InChIInChI=1S/C23H36N6O3/c1-15-13-29(14-16(2)31-15)17-8-9-18-19(12-17)28-21(20(24)27-18)25-10-6-7-11-26-22(30)32-23(3,4)5/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H2,24,27)(H,25,28)(H,26,30)/t15-,16?/m0/s1
InChIKeyUFJQZJGESBNTIW-VYRBHSGPSA-N
XLogP3.54
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-[4-[[7-(2,6-dimethylmorpholin-4-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 142746089
propan-2-yl N-[(2S)-1-[4-[[7-(2,6-dimethylmorpholin-4-yl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 142745875
tert-butyl N-[4-[(7-amino-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate
CID 142746123
tert-butyl N-[4-[1-(4-aminophenyl)-5-oxopyrrolidin-3-yl]butyl]carbamate
CID 162384003
4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid
CID 122058685
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
tert-butyl N-[[4-[(E)-2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]ethenyl]-2-pyridinyl]methyl]carbamate
CID 170392088
tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
CID 102730540
tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate
CID 135276214
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831
tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
CID 139523201
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate (CID 142406464) is tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate is CC1CN(c2ccc3nc(N)c(NCCCCNC(=O)OC(C)(C)C)nc3c2)C[C@H](C)O1.
What is the InChIKey of tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate?
The InChIKey is UFJQZJGESBNTIW-VYRBHSGPSA-N. The full InChI is InChI=1S/C23H36N6O3/c1-15-13-29(14-16(2)31-15)17-8-9-18-19(12-17)28-21(20(24)27-18)25-10-6-7-11-26-22(30)32-23(3,4)5/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H2,24,27)(H,25,28)(H,26,30)/t15-,16?/m0/s1.
What are the key properties of tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate?
tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate has a molecular weight of 444.58 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[3-amino-7-[(2S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]amino]butyl]carbamate is sourced from PubChem (CID 142406464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).