7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid

C11H12ClFN2O2 — CID 171788045

IUPAC7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid
SMILESCN1CCN(C)c2c1cc(Cl)c(F)c2C(=O)O
InChIInChI=1S/C11H12ClFN2O2/c1-14-3-4-15(2)10-7(14)5-6(12)9(13)8(10)11(16)17/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyIQUCPKVDWKKOGD-UHFFFAOYSA-N
MW258.68 g/mol
LogP2.06
Rot. Bonds1

About 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid

7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid (PubChem CID 171788045) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid
PubChem CID171788045
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid
SMILESCN1CCN(C)c2c1cc(Cl)c(F)c2C(=O)O
InChIInChI=1S/C11H12ClFN2O2/c1-14-3-4-15(2)10-7(14)5-6(12)9(13)8(10)11(16)17/h5H,3-4H2,1-2H3,(H,16,17)
InChIKeyIQUCPKVDWKKOGD-UHFFFAOYSA-N
XLogP2.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid (CID 171788045) is 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid is CN1CCN(C)c2c1cc(Cl)c(F)c2C(=O)O.
What is the InChIKey of 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is IQUCPKVDWKKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c1-14-3-4-15(2)10-7(14)5-6(12)9(13)8(10)11(16)17/h5H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid?
7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 258.68 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1,4-dimethyl-2,3-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 171788045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).