N-(2-aminopropyl)quinoxaline-2-carboxamide

C12H14N4O — CID 107356511

IUPACN-(2-aminopropyl)quinoxaline-2-carboxamide
SMILESCC(N)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H14N4O/c1-8(13)6-15-12(17)11-7-14-9-4-2-3-5-10(9)16-11/h2-5,7-8H,6,13H2,1H3,(H,15,17)
InChIKeyBTRSWWUZSYBOLQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.71
Rot. Bonds3

About N-(2-aminopropyl)quinoxaline-2-carboxamide

N-(2-aminopropyl)quinoxaline-2-carboxamide (PubChem CID 107356511) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-aminopropyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)quinoxaline-2-carboxamide
PubChem CID107356511
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-aminopropyl)quinoxaline-2-carboxamide
SMILESCC(N)CNC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H14N4O/c1-8(13)6-15-12(17)11-7-14-9-4-2-3-5-10(9)16-11/h2-5,7-8H,6,13H2,1H3,(H,15,17)
InChIKeyBTRSWWUZSYBOLQ-UHFFFAOYSA-N
XLogP0.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]quinoxaline-2-carboxamide
CID 94159016
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 71781584
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(2-aminopropyl)quinoxaline-2-carboxamide (CID 107356511) is N-(2-aminopropyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-aminopropyl)quinoxaline-2-carboxamide is CC(N)CNC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-aminopropyl)quinoxaline-2-carboxamide?
The InChIKey is BTRSWWUZSYBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(13)6-15-12(17)11-7-14-9-4-2-3-5-10(9)16-11/h2-5,7-8H,6,13H2,1H3,(H,15,17).
What are the key properties of N-(2-aminopropyl)quinoxaline-2-carboxamide?
N-(2-aminopropyl)quinoxaline-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 107356511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).