(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid

C14H11FN4O2 — CID 162471317

IUPAC(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid
SMILESN#Cc1ccc(N2C[C@H](C(=O)O)[C@@H](F)C2)c2nccnc12
InChIInChI=1S/C14H11FN4O2/c15-10-7-19(6-9(10)14(20)21)11-2-1-8(5-16)12-13(11)18-4-3-17-12/h1-4,9-10H,6-7H2,(H,20,21)/t9-,10-/m0/s1
InChIKeyXIUJICIQZMBDMX-UWVGGRQHSA-N
MW286.27 g/mol
LogP1.36
Rot. Bonds2

About (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid

(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid (PubChem CID 162471317) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid
PubChem CID162471317
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid
SMILESN#Cc1ccc(N2C[C@H](C(=O)O)[C@@H](F)C2)c2nccnc12
InChIInChI=1S/C14H11FN4O2/c15-10-7-19(6-9(10)14(20)21)11-2-1-8(5-16)12-13(11)18-4-3-17-12/h1-4,9-10H,6-7H2,(H,20,21)/t9-,10-/m0/s1
InChIKeyXIUJICIQZMBDMX-UWVGGRQHSA-N
XLogP1.36
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride
CID 129240614
2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide
CID 169078031
[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium
CID 163910018
4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
[3-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
CID 129240989
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 137423816
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 137423766
8-[(3S,5S)-3-methyl-5-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperidin-1-yl]quinoxaline-5-carbonitrile
CID 160969535
8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329469
4-(8-cyanoquinoxalin-5-yl)-N-[(2R)-2-hydroxypropyl]-6-methylmorpholine-2-carboxamide
CID 158196372

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid (CID 162471317) is (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid is N#Cc1ccc(N2C[C@H](C(=O)O)[C@@H](F)C2)c2nccnc12.
What is the InChIKey of (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is XIUJICIQZMBDMX-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-10-7-19(6-9(10)14(20)21)11-2-1-8(5-16)12-13(11)18-4-3-17-12/h1-4,9-10H,6-7H2,(H,20,21)/t9-,10-/m0/s1.
What are the key properties of (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid?
(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 286.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 162471317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).