tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate

C20H22N4O3 — CID 170748768

IUPACtert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2cc(N)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)23-17-18(25)24(12-13-7-5-4-6-8-13)16-10-9-14(21)11-15(16)22-17/h4-11H,12,21H2,1-3H3,(H,22,23,26)
InChIKeyWYLCFILNSXVIJJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate

tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate (PubChem CID 170748768) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate
PubChem CID170748768
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nametert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2cc(N)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)23-17-18(25)24(12-13-7-5-4-6-8-13)16-10-9-14(21)11-15(16)22-17/h4-11H,12,21H2,1-3H3,(H,22,23,26)
InChIKeyWYLCFILNSXVIJJ-UHFFFAOYSA-N
XLogP3.37
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(5-amino-2-benzylbenzimidazol-1-yl)acetate
CID 139827245
tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
CID 66886965
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-3-phenyl-1,2,4-triazin-4-yl]acetic acid
CID 70240797
prop-2-enyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(3-phenylpropyl)benzimidazol-2-yl]carbamate
CID 153349982
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea
CID 122212444
(3,3-dimethyl-2-oxobutyl) 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate
CID 3940799
5-amino-1-[(4-tert-butylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 42808855
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate (CID 170748768) is tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate is CC(C)(C)OC(=O)Nc1nc2cc(N)ccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate?
The InChIKey is WYLCFILNSXVIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-20(2,3)27-19(26)23-17-18(25)24(12-13-7-5-4-6-8-13)16-10-9-14(21)11-15(16)22-17/h4-11H,12,21H2,1-3H3,(H,22,23,26).
What are the key properties of tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate?
tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate has a molecular weight of 366.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate is sourced from PubChem (CID 170748768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).