N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide

C15H19N3O2 — CID 104580990

IUPACN-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H19N3O2/c1-3-15(2,7-10-19)18-14(20)11-5-4-6-12-13(11)17-9-8-16-12/h4-6,8-9,19H,3,7,10H2,1-2H3,(H,18,20)
InChIKeyZOVAGWYJIUPDAT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.91
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide (PubChem CID 104580990) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
PubChem CID104580990
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cccc2nccnc12
InChIInChI=1S/C15H19N3O2/c1-3-15(2,7-10-19)18-14(20)11-5-4-6-12-13(11)17-9-8-16-12/h4-6,8-9,19H,3,7,10H2,1-2H3,(H,18,20)
InChIKeyZOVAGWYJIUPDAT-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
CID 103946162
N-[3-(bromomethyl)pentan-3-yl]quinoxaline-5-carboxamide
CID 104615768
N-[1-bromo-2-(bromomethyl)butan-2-yl]quinoxaline-5-carboxamide
CID 107868181
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
1-chloro-N-(1-hydroxy-3-methylpentan-3-yl)isoquinoline-4-carboxamide
CID 106834452
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide (CID 104580990) is N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide is CCC(C)(CCO)NC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide?
The InChIKey is ZOVAGWYJIUPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-15(2,7-10-19)18-14(20)11-5-4-6-12-13(11)17-9-8-16-12/h4-6,8-9,19H,3,7,10H2,1-2H3,(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104580990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).