N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride

C15H21Cl2FN4O — CID 119654204

IUPACN-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(F)cc2nccnc12.Cl.Cl
InChIInChI=1S/C15H19FN4O.2ClH/c1-15(2,8-17)9-20(3)14(21)11-6-10(16)7-12-13(11)19-5-4-18-12;;/h4-7H,8-9,17H2,1-3H3;2*1H
InChIKeyUJNHIVQJCHOCLC-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.67
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride (PubChem CID 119654204) has the molecular formula C15H21Cl2FN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride
PubChem CID119654204
Molecular FormulaC15H21Cl2FN4O
Molecular Weight363.26 g/mol
Exact Mass362.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(F)cc2nccnc12.Cl.Cl
InChIInChI=1S/C15H19FN4O.2ClH/c1-15(2,8-17)9-20(3)14(21)11-6-10(16)7-12-13(11)19-5-4-18-12;;/h4-7H,8-9,17H2,1-3H3;2*1H
InChIKeyUJNHIVQJCHOCLC-UHFFFAOYSA-N
XLogP2.67
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119656995
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
CID 119653488
N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119654166
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79652392
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119655604

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride (CID 119654204) is N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)c1cc(F)cc2nccnc12.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride?
The InChIKey is UJNHIVQJCHOCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O.2ClH/c1-15(2,8-17)9-20(3)14(21)11-6-10(16)7-12-13(11)19-5-4-18-12;;/h4-7H,8-9,17H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride has a molecular weight of 363.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methylquinoxaline-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119654204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).