N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide

C15H18N4O — CID 114632331

IUPACN-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18N4O/c1-15(2)12(16)8-13(15)19-14(20)9-3-4-10-11(7-9)18-6-5-17-10/h3-7,12-13H,8,16H2,1-2H3,(H,19,20)
InChIKeyMVXGVOVFMNEJOG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.49
Rot. Bonds2

About N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide

N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide (PubChem CID 114632331) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide
PubChem CID114632331
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide
SMILESCC1(C)C(N)CC1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18N4O/c1-15(2)12(16)8-13(15)19-14(20)9-3-4-10-11(7-9)18-6-5-17-10/h3-7,12-13H,8,16H2,1-2H3,(H,19,20)
InChIKeyMVXGVOVFMNEJOG-UHFFFAOYSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dihydroxybenzamide
CID 107727566
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
CID 114632315
N-(3-amino-2,2-dimethylcyclobutyl)-3,5-dimethylbenzamide
CID 114632427
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 114632488
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
CID 114632412
quinoxaline-6-carboxylic acid chloride
CID 86626600
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
N-(3-amino-2,2-dimethylcyclobutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040543
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
N-(3-amino-2,2-dimethylcyclobutyl)-2-hydroxy-4-methoxybenzamide
CID 114632319

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide (CID 114632331) is N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide is CC1(C)C(N)CC1NC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide?
The InChIKey is MVXGVOVFMNEJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2)12(16)8-13(15)19-14(20)9-3-4-10-11(7-9)18-6-5-17-10/h3-7,12-13H,8,16H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide?
N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 114632331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).