methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate

C20H18FN3O2 — CID 70664630

IUPACmethyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C20H18FN3O2/c1-26-20(25)14-6-9-16-17(12-14)23-19(24-10-2-3-11-24)18(22-16)13-4-7-15(21)8-5-13/h4-9,12H,2-3,10-11H2,1H3
InChIKeyIUALRYKSDXZMNU-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.82
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate

methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate (PubChem CID 70664630) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
PubChem CID70664630
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Namemethyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2c1
InChIInChI=1S/C20H18FN3O2/c1-26-20(25)14-6-9-16-17(12-14)23-19(24-10-2-3-11-24)18(22-16)13-4-7-15(21)8-5-13/h4-9,12H,2-3,10-11H2,1H3
InChIKeyIUALRYKSDXZMNU-UHFFFAOYSA-N
XLogP3.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate
CID 67041720
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
sodium;azepane;3-(azepan-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid;butyl 3-(azepan-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate;hydroxide
CID 159855574
methyl 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylate
CID 77451457
4-(4-methoxyphenyl)piperidine;methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperidin-1-yl]quinoxaline-6-carboxylate
CID 160939436
methyl 3-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344541
methyl 3-(4-methylsulfonylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67042359
methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
CID 70664870
methyl 3-piperidin-1-yl-2-(trifluoromethylsulfonyloxy)quinoxaline-6-carboxylate
CID 86670562
methyl 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041735
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-pyrrolidin-1-ylquinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate (CID 70664630) is methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCC3)nc2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate?
The InChIKey is IUALRYKSDXZMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-20(25)14-6-9-16-17(12-14)23-19(24-10-2-3-11-24)18(22-16)13-4-7-15(21)8-5-13/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate is sourced from PubChem (CID 70664630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).