(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'}

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Related Compounds

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
(3-amino-4-bromophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776735
[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777193
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777015
4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
CID 53013850
(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
CID 28978839
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
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
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-iodophenyl)methanone
CID 62266196
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 97015667

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).