tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate

C14H16ClN3O2 — CID 117274297

IUPACtert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-14(2,3)20-13(19)16-8-11-12(15)18-10-7-5-4-6-9(10)17-11/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyJVYLNTLRYFYUNU-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate

tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate (PubChem CID 117274297) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
PubChem CID117274297
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Nametert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc2ccccc2nc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-14(2,3)20-13(19)16-8-11-12(15)18-10-7-5-4-6-9(10)17-11/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyJVYLNTLRYFYUNU-UHFFFAOYSA-N
XLogP3.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
CID 117274813
tert-butyl N-[3-(1,2,4-benzotriazin-3-ylamino)propyl]carbamate
CID 103204542
ethyl N-[(3-methylquinoxalin-2-yl)methyl]carbamate
CID 110869683
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
tert-butyl N-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175381261
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carboxylic acid
CID 177053270
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[[3-chloro-5-[(2-methoxyquinolin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 166457915
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate (CID 117274297) is tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nc2ccccc2nc1Cl.
What is the InChIKey of tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate?
The InChIKey is JVYLNTLRYFYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-14(2,3)20-13(19)16-8-11-12(15)18-10-7-5-4-6-9(10)17-11/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate?
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate has a molecular weight of 293.75 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate is sourced from PubChem (CID 117274297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).