N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide

C14H17N3O2 — CID 115734850

IUPACN-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
SMILESCC(CO)C(C)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-9(8-18)10(2)16-14(19)13-7-15-11-5-3-4-6-12(11)17-13/h3-7,9-10,18H,8H2,1-2H3,(H,16,19)
InChIKeyTXQSOLAYPJMBLD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds4

About N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide (PubChem CID 115734850) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
PubChem CID115734850
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
SMILESCC(CO)C(C)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-9(8-18)10(2)16-14(19)13-7-15-11-5-3-4-6-12(11)17-13/h3-7,9-10,18H,8H2,1-2H3,(H,16,19)
InChIKeyTXQSOLAYPJMBLD-UHFFFAOYSA-N
XLogP1.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
CID 61246505
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-[1-(5-methylfuran-2-yl)ethyl]quinoxaline-2-carboxamide
CID 46443465
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
N-[1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 4051543
(2S)-4-amino-4-oxo-2-(quinoxaline-2-carbonylamino)butanoic acid
CID 15308528
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
CID 107356567
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide (CID 115734850) is N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide is CC(CO)C(C)NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide?
The InChIKey is TXQSOLAYPJMBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(8-18)10(2)16-14(19)13-7-15-11-5-3-4-6-12(11)17-13/h3-7,9-10,18H,8H2,1-2H3,(H,16,19).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 115734850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).