N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide

C15H19N3O2 — CID 61246505

IUPACN-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-10(2)7-11(9-19)17-15(20)14-8-16-12-5-3-4-6-13(12)18-14/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20)
InChIKeyNXVNRAXKKGCYNK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.77
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide (PubChem CID 61246505) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
PubChem CID61246505
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-10(2)7-11(9-19)17-15(20)14-8-16-12-5-3-4-6-13(12)18-14/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20)
InChIKeyNXVNRAXKKGCYNK-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
N-[(2S)-1-aminopropan-2-yl]quinoxaline-2-carboxamide
CID 120507243
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 61247372
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenylmethoxy-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 24831256
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
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
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide (CID 61246505) is N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide is CC(C)CC(CO)NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide?
The InChIKey is NXVNRAXKKGCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)7-11(9-19)17-15(20)14-8-16-12-5-3-4-6-13(12)18-14/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 61246505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).