2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile

C15H19N3O — CID 114291528

IUPAC2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-4-15(2,11-16)14(19)18-10-9-17(3)12-7-5-6-8-13(12)18/h5-8H,4,9-10H2,1-3H3
InChIKeyBFZYVCQKDZXWRL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds2

About 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile

2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile (PubChem CID 114291528) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile
PubChem CID114291528
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile
SMILESCCC(C)(C#N)C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-4-15(2,11-16)14(19)18-10-9-17(3)12-7-5-6-8-13(12)18/h5-8H,4,9-10H2,1-3H3
InChIKeyBFZYVCQKDZXWRL-UHFFFAOYSA-N
XLogP2.41
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
CID 63778411
2-amino-3,3,3-trifluoro-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 79810901
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
2-methyl-2-(4-methyl-3-oxopiperazine-1-carbonyl)butanenitrile
CID 114291589
4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
CID 53013850
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
3,3-dimethyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanoic acid
CID 116537185
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 67472733
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile?
The IUPAC name of 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile (CID 114291528) is 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile.
What is the SMILES notation for 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile?
The canonical SMILES for 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile is CCC(C)(C#N)C(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile?
The InChIKey is BFZYVCQKDZXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-15(2,11-16)14(19)18-10-9-17(3)12-7-5-6-8-13(12)18/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile?
2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile has a molecular weight of 257.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)butanenitrile is sourced from PubChem (CID 114291528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).