tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate

C14H18N4O2 — CID 169041766

IUPACtert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate
SMILESCc1cc(NNC(=O)OC(C)(C)C)cc2nccnc12
InChIInChI=1S/C14H18N4O2/c1-9-7-10(8-11-12(9)16-6-5-15-11)17-18-13(19)20-14(2,3)4/h5-8,17H,1-4H3,(H,18,19)
InChIKeyQEBICPWCTHFLJW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.79
Rot. Bonds2

About tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate

tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate (PubChem CID 169041766) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate
PubChem CID169041766
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nametert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate
SMILESCc1cc(NNC(=O)OC(C)(C)C)cc2nccnc12
InChIInChI=1S/C14H18N4O2/c1-9-7-10(8-11-12(9)16-6-5-15-11)17-18-13(19)20-14(2,3)4/h5-8,17H,1-4H3,(H,18,19)
InChIKeyQEBICPWCTHFLJW-UHFFFAOYSA-N
XLogP2.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2,6-dimethyl-4-(trifluoromethyl)anilino]carbamate
CID 172557804
tert-butyl N-[2-(7-methylquinolin-6-yl)ethyl]carbamate
CID 142472999
CID 164562081
CID 164562081
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-quinoxalin-6-ylcarbamate
CID 155304905
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
tert-butyl N-(quinoline-6-carbonylamino)carbamate
CID 155213246
8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid
CID 129451004
tert-butyl N-(3-nitroanilino)carbamate
CID 19085949
tert-butyl N-(4-formyl-3-methylphenyl)carbamate
CID 84797413
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate?
The IUPAC name of tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate (CID 169041766) is tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate is Cc1cc(NNC(=O)OC(C)(C)C)cc2nccnc12.
What is the InChIKey of tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate?
The InChIKey is QEBICPWCTHFLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-7-10(8-11-12(9)16-6-5-15-11)17-18-13(19)20-14(2,3)4/h5-8,17H,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate?
tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(8-methylquinoxalin-6-yl)amino]carbamate is sourced from PubChem (CID 169041766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).