methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate

C19H18FN3O2 — CID 70664870

IUPACmethyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
SMILESCCCNc1nc2cc(C(=O)OC)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-3-10-21-18-17(12-4-7-14(20)8-5-12)22-15-9-6-13(19(24)25-2)11-16(15)23-18/h4-9,11H,3,10H2,1-2H3,(H,21,23)
InChIKeyGJULUEMZCASRNF-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.04
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate

methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate (PubChem CID 70664870) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
PubChem CID70664870
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Namemethyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
SMILESCCCNc1nc2cc(C(=O)OC)ccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-3-10-21-18-17(12-4-7-14(20)8-5-12)22-15-9-6-13(19(24)25-2)11-16(15)23-18/h4-9,11H,3,10H2,1-2H3,(H,21,23)
InChIKeyGJULUEMZCASRNF-UHFFFAOYSA-N
XLogP4.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
CID 67041739
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 3-[[(2S)-butan-2-yl]amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344700
methyl 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate
CID 67041720
methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
CID 122423843
propyl 2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 70661315
[2-(4-fluoroanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23831399
methyl 3-(bromomethyl)-2-(4-chlorophenyl)quinoxaline-6-carboxylate
CID 67985840
methyl phenazine-2-carboxylate
CID 617185
methyl 3-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344541
methyl 2-(4-fluorophenyl)-3-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]quinoxaline-6-carboxylate
CID 70665039

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate (CID 70664870) is methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate is CCCNc1nc2cc(C(=O)OC)ccc2nc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate?
The InChIKey is GJULUEMZCASRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-10-21-18-17(12-4-7-14(20)8-5-12)22-15-9-6-13(19(24)25-2)11-16(15)23-18/h4-9,11H,3,10H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate is sourced from PubChem (CID 70664870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).