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

C17H15N3O — CID 53013850

IUPAC4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
SMILESCN1CCN(C(=O)c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C17H15N3O/c1-19-10-11-20(16-5-3-2-4-15(16)19)17(21)14-8-6-13(12-18)7-9-14/h2-9H,10-11H2,1H3
InChIKeyWJDNUQIZCVFPKP-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.65
Rot. Bonds1

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

4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile (PubChem CID 53013850) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
PubChem CID53013850
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
SMILESCN1CCN(C(=O)c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C17H15N3O/c1-19-10-11-20(16-5-3-2-4-15(16)19)17(21)14-8-6-13(12-18)7-9-14/h2-9H,10-11H2,1H3
InChIKeyWJDNUQIZCVFPKP-UHFFFAOYSA-N
XLogP2.65
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777193
(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63779175
(3-amino-4-bromophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776735
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 97015667
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777015
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
4-(2-oxopiperidine-1-carbonyl)benzonitrile
CID 141391149

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile?
The IUPAC name of 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile (CID 53013850) is 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile.
What is the SMILES notation for 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile?
The canonical SMILES for 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile is CN1CCN(C(=O)c2ccc(C#N)cc2)c2ccccc21.
What is the InChIKey of 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile?
The InChIKey is WJDNUQIZCVFPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-19-10-11-20(16-5-3-2-4-15(16)19)17(21)14-8-6-13(12-18)7-9-14/h2-9H,10-11H2,1H3.
What are the key properties of 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile?
4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile is sourced from PubChem (CID 53013850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).