7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one

C16H15BrN2O — CID 117006395

IUPAC7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
SMILESCc1cccc(N2C(=O)CN(C)c3ccc(Br)cc32)c1
InChIInChI=1S/C16H15BrN2O/c1-11-4-3-5-13(8-11)19-15-9-12(17)6-7-14(15)18(2)10-16(19)20/h3-9H,10H2,1-2H3
InChIKeyYHXFETHGPCDIQH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.87
Rot. Bonds1

About 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one

7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one (PubChem CID 117006395) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
PubChem CID117006395
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
SMILESCc1cccc(N2C(=O)CN(C)c3ccc(Br)cc32)c1
InChIInChI=1S/C16H15BrN2O/c1-11-4-3-5-13(8-11)19-15-9-12(17)6-7-14(15)18(2)10-16(19)20/h3-9H,10H2,1-2H3
InChIKeyYHXFETHGPCDIQH-UHFFFAOYSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-4-methyl-3H-quinoxalin-2-one
CID 117030723
7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117030398
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 117006371
1-(3,4-dimethylphenyl)-4-methyl-3H-quinoxalin-2-one
CID 117006646
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117006379
7-bromo-4-methyl-1-(3-methylbutyl)-3H-quinoxalin-2-one
CID 117006391
3-(3-methylphenyl)-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837913
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030394
1-(3-methylphenyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 56977746
6-bromo-1,5-dimethyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrazin-3-one
CID 141194608
1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
CID 141465001

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one?
The IUPAC name of 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one (CID 117006395) is 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one is Cc1cccc(N2C(=O)CN(C)c3ccc(Br)cc32)c1.
What is the InChIKey of 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one?
The InChIKey is YHXFETHGPCDIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-11-4-3-5-13(8-11)19-15-9-12(17)6-7-14(15)18(2)10-16(19)20/h3-9H,10H2,1-2H3.
What are the key properties of 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one?
7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one has a molecular weight of 331.21 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 117006395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).