7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride

C15H19Cl2FN4O — CID 119535235

IUPAC7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cc(F)cc2nccnc12
InChIInChI=1S/C15H17FN4O.2ClH/c16-11-7-12(14-13(8-11)18-5-6-19-14)15(21)20-4-2-10-1-3-17-9-10;;/h5-8,10,17H,1-4,9H2,(H,20,21);2*1H
InChIKeyDMRZWTCVJJTLJL-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.34
Rot. Bonds4

About 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride

7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride (PubChem CID 119535235) has the molecular formula C15H19Cl2FN4O and a molecular weight of 361.25 g/mol. Its IUPAC name is 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride
PubChem CID119535235
Molecular FormulaC15H19Cl2FN4O
Molecular Weight361.25 g/mol
Exact Mass360.09
IUPAC Name7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cc(F)cc2nccnc12
InChIInChI=1S/C15H17FN4O.2ClH/c16-11-7-12(14-13(8-11)18-5-6-19-14)15(21)20-4-2-10-1-3-17-9-10;;/h5-8,10,17H,1-4,9H2,(H,20,21);2*1H
InChIKeyDMRZWTCVJJTLJL-UHFFFAOYSA-N
XLogP2.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
3-bromo-5-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534037
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoroquinoxaline-5-carboxamide;dihydrochloride
CID 119456839
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride?
The IUPAC name of 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride (CID 119535235) is 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride.
What is the SMILES notation for 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride?
The canonical SMILES for 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCNC1)c1cc(F)cc2nccnc12.
What is the InChIKey of 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride?
The InChIKey is DMRZWTCVJJTLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O.2ClH/c16-11-7-12(14-13(8-11)18-5-6-19-14)15(21)20-4-2-10-1-3-17-9-10;;/h5-8,10,17H,1-4,9H2,(H,20,21);2*1H.
What are the key properties of 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride?
7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride has a molecular weight of 361.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-pyrrolidin-3-ylethyl)quinoxaline-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119535235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).