6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one

C18H14N4O3 — CID 110662069

IUPAC6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one
SMILESCc1nc2ccc(C(=O)n3c(=O)oc4cc(N)ccc43)cc2nc1C
InChIInChI=1S/C18H14N4O3/c1-9-10(2)21-14-7-11(3-5-13(14)20-9)17(23)22-15-6-4-12(19)8-16(15)25-18(22)24/h3-8H,19H2,1-2H3
InChIKeyRJGCJGLLMPYPIG-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.43
Rot. Bonds1

About 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one

6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one (PubChem CID 110662069) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one
PubChem CID110662069
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one
SMILESCc1nc2ccc(C(=O)n3c(=O)oc4cc(N)ccc43)cc2nc1C
InChIInChI=1S/C18H14N4O3/c1-9-10(2)21-14-7-11(3-5-13(14)20-9)17(23)22-15-6-4-12(19)8-16(15)25-18(22)24/h3-8H,19H2,1-2H3
InChIKeyRJGCJGLLMPYPIG-UHFFFAOYSA-N
XLogP2.43
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one (CID 110662069) is 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one is Cc1nc2ccc(C(=O)n3c(=O)oc4cc(N)ccc43)cc2nc1C.
What is the InChIKey of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one?
The InChIKey is RJGCJGLLMPYPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-9-10(2)21-14-7-11(3-5-13(14)20-9)17(23)22-15-6-4-12(19)8-16(15)25-18(22)24/h3-8H,19H2,1-2H3.
What are the key properties of 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one?
6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one has a molecular weight of 334.34 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 110662069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).