(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C17H21FN4O — CID 119540009

IUPAC(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)C1
InChIInChI=1S/C17H21FN4O/c1-10-11(2)21-16-14(6-13(18)7-15(16)20-10)17(23)22-5-4-12(9-22)8-19-3/h6-7,12,19H,4-5,8-9H2,1-3H3
InChIKeyZBFKNOBUDOXSFC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.07
Rot. Bonds3

About (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119540009) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119540009
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)C1
InChIInChI=1S/C17H21FN4O/c1-10-11(2)21-16-14(6-13(18)7-15(16)20-10)17(23)22-5-4-12(9-22)8-19-3/h6-7,12,19H,4-5,8-9H2,1-3H3
InChIKeyZBFKNOBUDOXSFC-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
CID 51124020
1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56504447
(2,7-dimethylquinolin-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613099
(5-fluoro-3-methyl-2-nitrophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541968
ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate
CID 51120310
(3-fluoro-5-methylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538422
(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394746
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542164
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541051
[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
CID 146081322
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride
CID 120808856

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119540009) is (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)C1.
What is the InChIKey of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZBFKNOBUDOXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-10-11(2)21-16-14(6-13(18)7-15(16)20-10)17(23)22-5-4-12(9-22)8-19-3/h6-7,12,19H,4-5,8-9H2,1-3H3.
What are the key properties of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119540009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).