methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate

C17H10ClF3N2O2 — CID 88540808

IUPACmethyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)nc2c1
InChIInChI=1S/C17H10ClF3N2O2/c1-25-16(24)10-4-7-12-13(8-10)23-15(18)14(22-12)9-2-5-11(6-3-9)17(19,20)21/h2-8H,1H3
InChIKeyNPMAKRKLUKCERC-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.76
Rot. Bonds2

About methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate

methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate (PubChem CID 88540808) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate
PubChem CID88540808
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Namemethyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)nc2c1
InChIInChI=1S/C17H10ClF3N2O2/c1-25-16(24)10-4-7-12-13(8-10)23-15(18)14(22-12)9-2-5-11(6-3-9)17(19,20)21/h2-8H,1H3
InChIKeyNPMAKRKLUKCERC-UHFFFAOYSA-N
XLogP4.76
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate?
The IUPAC name of methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate (CID 88540808) is methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)nc2c1.
What is the InChIKey of methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate?
The InChIKey is NPMAKRKLUKCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c1-25-16(24)10-4-7-12-13(8-10)23-15(18)14(22-12)9-2-5-11(6-3-9)17(19,20)21/h2-8H,1H3.
What are the key properties of methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate?
methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate has a molecular weight of 366.73 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-[4-(trifluoromethyl)phenyl]quinoxaline-6-carboxylate is sourced from PubChem (CID 88540808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).