7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide

C21H21FN4O — CID 55877092

IUPAC7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)Nc3cccc(N4CCCC4)c3)c2nc1C
InChIInChI=1S/C21H21FN4O/c1-13-14(2)24-20-18(10-15(22)11-19(20)23-13)21(27)25-16-6-5-7-17(12-16)26-8-3-4-9-26/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,25,27)
InChIKeyPRIMCOMBLIILJJ-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.24
Rot. Bonds3

About 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide

7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide (PubChem CID 55877092) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
PubChem CID55877092
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)Nc3cccc(N4CCCC4)c3)c2nc1C
InChIInChI=1S/C21H21FN4O/c1-13-14(2)24-20-18(10-15(22)11-19(20)23-13)21(27)25-16-6-5-7-17(12-16)26-8-3-4-9-26/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,25,27)
InChIKeyPRIMCOMBLIILJJ-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55824865
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
CID 95383368
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide
CID 55876152
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 112841648
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56504447
7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
CID 55851954

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide (CID 55877092) is 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)Nc3cccc(N4CCCC4)c3)c2nc1C.
What is the InChIKey of 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
The InChIKey is PRIMCOMBLIILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-13-14(2)24-20-18(10-15(22)11-19(20)23-13)21(27)25-16-6-5-7-17(12-16)26-8-3-4-9-26/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,25,27).
What are the key properties of 7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide?
7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.24, 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-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 55877092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).