4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

C12H13N3O2 — CID 175952260

IUPAC4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cc2nc(C(N)=O)c(=O)n(C)c2cc1C
InChIInChI=1S/C12H13N3O2/c1-6-4-8-9(5-7(6)2)15(3)12(17)10(14-8)11(13)16/h4-5H,1-3H3,(H2,13,16)
InChIKeyWQSRWGBTBNRKIA-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.65
Rot. Bonds1

About 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 175952260) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound Name4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID175952260
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cc2nc(C(N)=O)c(=O)n(C)c2cc1C
InChIInChI=1S/C12H13N3O2/c1-6-4-8-9(5-7(6)2)15(3)12(17)10(14-8)11(13)16/h4-5H,1-3H3,(H2,13,16)
InChIKeyWQSRWGBTBNRKIA-UHFFFAOYSA-N
XLogP0.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (CID 175952260) is 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is Cc1cc2nc(C(N)=O)c(=O)n(C)c2cc1C.
What is the InChIKey of 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is WQSRWGBTBNRKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-6-4-8-9(5-7(6)2)15(3)12(17)10(14-8)11(13)16/h4-5H,1-3H3,(H2,13,16).
What are the key properties of 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 175952260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).