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

C16H15IN2O — CID 63779175

IUPAC(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(I)c2)c2ccccc21
InChIInChI=1S/C16H15IN2O/c1-18-9-10-19(15-8-3-2-7-14(15)18)16(20)12-5-4-6-13(17)11-12/h2-8,11H,9-10H2,1H3
InChIKeyBHIQHDBPODMUMH-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.39
Rot. Bonds1

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

(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 63779175) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID63779175
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(I)c2)c2ccccc21
InChIInChI=1S/C16H15IN2O/c1-18-9-10-19(15-8-3-2-7-14(15)18)16(20)12-5-4-6-13(17)11-12/h2-8,11H,9-10H2,1H3
InChIKeyBHIQHDBPODMUMH-UHFFFAOYSA-N
XLogP3.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-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 (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 63779175) is (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)c2cccc(I)c2)c2ccccc21.
What is the InChIKey of (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is BHIQHDBPODMUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c1-18-9-10-19(15-8-3-2-7-14(15)18)16(20)12-5-4-6-13(17)11-12/h2-8,11H,9-10H2,1H3.
What are the key properties of (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 378.21 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 63779175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).