6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one

C17H17N3O — CID 131886156

IUPAC6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one
SMILESCc1nc2cc(N(C)C)ccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H17N3O/c1-12-17(21)20(13-7-5-4-6-8-13)16-10-9-14(19(2)3)11-15(16)18-12/h4-11H,1-3H3
InChIKeyCCMNZEUGIXLJQU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.76
Rot. Bonds2

About 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one

6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one (PubChem CID 131886156) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one
PubChem CID131886156
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one
SMILESCc1nc2cc(N(C)C)ccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H17N3O/c1-12-17(21)20(13-7-5-4-6-8-13)16-10-9-14(19(2)3)11-15(16)18-12/h4-11H,1-3H3
InChIKeyCCMNZEUGIXLJQU-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one?
The IUPAC name of 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one (CID 131886156) is 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one.
What is the SMILES notation for 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one?
The canonical SMILES for 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one is Cc1nc2cc(N(C)C)ccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one?
The InChIKey is CCMNZEUGIXLJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-17(21)20(13-7-5-4-6-8-13)16-10-9-14(19(2)3)11-15(16)18-12/h4-11H,1-3H3.
What are the key properties of 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one?
6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one is sourced from PubChem (CID 131886156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).