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

C16H14BrClN2O — CID 103765210

IUPAC(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)cc2Br)c2ccccc21
InChIInChI=1S/C16H14BrClN2O/c1-19-8-9-20(15-5-3-2-4-14(15)19)16(21)12-7-6-11(18)10-13(12)17/h2-7,10H,8-9H2,1H3
InChIKeyAFFQPTPGYGFIRO-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.20
Rot. Bonds1

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

(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 103765210) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID103765210
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)cc2Br)c2ccccc21
InChIInChI=1S/C16H14BrClN2O/c1-19-8-9-20(15-5-3-2-4-14(15)19)16(21)12-7-6-11(18)10-13(12)17/h2-7,10H,8-9H2,1H3
InChIKeyAFFQPTPGYGFIRO-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-chlorophenyl)-(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

Related Compounds

(4-bromo-2-sulfanylphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 107030064
(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 107676708
(3-amino-4-bromophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776735
(3-chloro-4-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66484542
[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 166272767
(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 79955750
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107986323
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 81234844
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 136532225
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 103765210) is (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Cl)cc2Br)c2ccccc21.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is AFFQPTPGYGFIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-19-8-9-20(15-5-3-2-4-14(15)19)16(21)12-7-6-11(18)10-13(12)17/h2-7,10H,8-9H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 365.66 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 103765210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).