1-[2-(4-methylanilino)ethyl]quinoxalin-2-one

C17H17N3O — CID 62564379

IUPAC1-[2-(4-methylanilino)ethyl]quinoxalin-2-one
SMILESCc1ccc(NCCn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)18-10-11-20-16-5-3-2-4-15(16)19-12-17(20)21/h2-9,12,18H,10-11H2,1H3
InChIKeyIEDKQZBFBQIMLO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds4

About 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one

1-[2-(4-methylanilino)ethyl]quinoxalin-2-one (PubChem CID 62564379) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylanilino)ethyl]quinoxalin-2-one
PubChem CID62564379
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[2-(4-methylanilino)ethyl]quinoxalin-2-one
SMILESCc1ccc(NCCn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)18-10-11-20-16-5-3-2-4-15(16)19-12-17(20)21/h2-9,12,18H,10-11H2,1H3
InChIKeyIEDKQZBFBQIMLO-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one (CID 62564379) is 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one is Cc1ccc(NCCn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one?
The InChIKey is IEDKQZBFBQIMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)18-10-11-20-16-5-3-2-4-15(16)19-12-17(20)21/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one?
1-[2-(4-methylanilino)ethyl]quinoxalin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)ethyl]quinoxalin-2-one is sourced from PubChem (CID 62564379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).