ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate

C12H10F3N3O3 — CID 142709307

IUPACethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2cc(F)c(F)c(F)c2nc1OC
InChIInChI=1S/C12H10F3N3O3/c1-3-21-12(19)18-10-11(20-2)17-9-6(16-10)4-5(13)7(14)8(9)15/h4H,3H2,1-2H3,(H,16,18,19)
InChIKeyNWRCUTPBDCEPRO-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.62
Rot. Bonds3

About ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate

ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate (PubChem CID 142709307) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate
PubChem CID142709307
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Nameethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2cc(F)c(F)c(F)c2nc1OC
InChIInChI=1S/C12H10F3N3O3/c1-3-21-12(19)18-10-11(20-2)17-9-6(16-10)4-5(13)7(14)8(9)15/h4H,3H2,1-2H3,(H,16,18,19)
InChIKeyNWRCUTPBDCEPRO-UHFFFAOYSA-N
XLogP2.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2,3,4-trifluoro-6-iodophenyl)carbamate
CID 171470443
[1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea
CID 142709271
ethyl N-(3-carbamoyl-6,7-dimethylquinoxalin-2-yl)carbamate
CID 13029756
6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid
CID 165460373
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
ethyl N-(3,6-dimethyl-2-pyridinyl)carbamate
CID 12887749
(5,6-diethyl-3-methoxypyrazin-2-yl)carbamic acid
CID 57099309
(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
CID 91217663
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate?
The IUPAC name of ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate (CID 142709307) is ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate?
The canonical SMILES for ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate is CCOC(=O)Nc1nc2cc(F)c(F)c(F)c2nc1OC.
What is the InChIKey of ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate?
The InChIKey is NWRCUTPBDCEPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-3-21-12(19)18-10-11(20-2)17-9-6(16-10)4-5(13)7(14)8(9)15/h4H,3H2,1-2H3,(H,16,18,19).
What are the key properties of ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate?
ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate has a molecular weight of 301.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate is sourced from PubChem (CID 142709307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).