(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone

C14H16N4O — CID 110471433

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnn(C)c2)c2ccccc21
InChIInChI=1S/C14H16N4O/c1-16-7-8-18(13-6-4-3-5-12(13)16)14(19)11-9-15-17(2)10-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVAIVNXGVJMKBIL-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.52
Rot. Bonds1

About (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 110471433) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID110471433
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnn(C)c2)c2ccccc21
InChIInChI=1S/C14H16N4O/c1-16-7-8-18(13-6-4-3-5-12(13)16)14(19)11-9-15-17(2)10-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVAIVNXGVJMKBIL-UHFFFAOYSA-N
XLogP1.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone (CID 110471433) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone is CN1CCN(C(=O)c2cnn(C)c2)c2ccccc21.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is VAIVNXGVJMKBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-16-7-8-18(13-6-4-3-5-12(13)16)14(19)11-9-15-17(2)10-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110471433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).