N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide

C12H12F2N4O — CID 104954959

IUPACN-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H12F2N4O/c13-12(14,6-15)7-17-11(19)10-5-16-8-3-1-2-4-9(8)18-10/h1-5H,6-7,15H2,(H,17,19)
InChIKeyJWHZWWGSJTVJAT-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.95
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide

N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide (PubChem CID 104954959) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide
PubChem CID104954959
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC NameN-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H12F2N4O/c13-12(14,6-15)7-17-11(19)10-5-16-8-3-1-2-4-9(8)18-10/h1-5H,6-7,15H2,(H,17,19)
InChIKeyJWHZWWGSJTVJAT-UHFFFAOYSA-N
XLogP0.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
CID 114383383
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid
CID 64670341
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
CID 7536893

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide (CID 104954959) is N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide is NCC(F)(F)CNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide?
The InChIKey is JWHZWWGSJTVJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-12(14,6-15)7-17-11(19)10-5-16-8-3-1-2-4-9(8)18-10/h1-5H,6-7,15H2,(H,17,19).
What are the key properties of N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide?
N-(3-amino-2,2-difluoropropyl)quinoxaline-2-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 0.95, 4 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-difluoropropyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 104954959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).