3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide

C13H15N3O2 — CID 67647848

IUPAC3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide
SMILESCC(O)(CC(N)=O)Cc1cccc2nccnc12
InChIInChI=1S/C13H15N3O2/c1-13(18,8-11(14)17)7-9-3-2-4-10-12(9)16-6-5-15-10/h2-6,18H,7-8H2,1H3,(H2,14,17)
InChIKeyPJELIVHDIKYWLO-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.80
Rot. Bonds4

About 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide

3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide (PubChem CID 67647848) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide
PubChem CID67647848
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide
SMILESCC(O)(CC(N)=O)Cc1cccc2nccnc12
InChIInChI=1S/C13H15N3O2/c1-13(18,8-11(14)17)7-9-3-2-4-10-12(9)16-6-5-15-10/h2-6,18H,7-8H2,1H3,(H2,14,17)
InChIKeyPJELIVHDIKYWLO-UHFFFAOYSA-N
XLogP0.80
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(quinoxalin-5-ylmethoxy)propanoate
CID 166003207
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
CID 83149658
2-(quinoxalin-5-ylmethylamino)propan-1-ol
CID 104614241
3-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 175762355
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
CID 170865869
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230
N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
CID 104580990
2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
CID 104614064
2-aminoacetic acid;quinoxaline
CID 174689994
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide?
The IUPAC name of 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide (CID 67647848) is 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide.
What is the SMILES notation for 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide?
The canonical SMILES for 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide is CC(O)(CC(N)=O)Cc1cccc2nccnc12.
What is the InChIKey of 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide?
The InChIKey is PJELIVHDIKYWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(18,8-11(14)17)7-9-3-2-4-10-12(9)16-6-5-15-10/h2-6,18H,7-8H2,1H3,(H2,14,17).
What are the key properties of 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide?
3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide has a molecular weight of 245.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-quinoxalin-5-ylbutanamide is sourced from PubChem (CID 67647848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).