phenyl imidazo[1,5-a]quinoxaline-4-carboxylate

C17H11N3O2 — CID 54309800

IUPACphenyl imidazo[1,5-a]quinoxaline-4-carboxylate
SMILESO=C(Oc1ccccc1)c1nc2ccccc2n2cncc12
InChIInChI=1S/C17H11N3O2/c21-17(22-12-6-2-1-3-7-12)16-15-10-18-11-20(15)14-9-5-4-8-13(14)19-16/h1-11H
InChIKeySKBTXZDAOKVXLY-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.10
Rot. Bonds2

About phenyl imidazo[1,5-a]quinoxaline-4-carboxylate

phenyl imidazo[1,5-a]quinoxaline-4-carboxylate (PubChem CID 54309800) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is phenyl imidazo[1,5-a]quinoxaline-4-carboxylate.

Molecular Properties

Compound Namephenyl imidazo[1,5-a]quinoxaline-4-carboxylate
PubChem CID54309800
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Namephenyl imidazo[1,5-a]quinoxaline-4-carboxylate
SMILESO=C(Oc1ccccc1)c1nc2ccccc2n2cncc12
InChIInChI=1S/C17H11N3O2/c21-17(22-12-6-2-1-3-7-12)16-15-10-18-11-20(15)14-9-5-4-8-13(14)19-16/h1-11H
InChIKeySKBTXZDAOKVXLY-UHFFFAOYSA-N
XLogP3.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methylimidazo[1,5-a]quinoxaline-4-carboxamide
CID 54477078
2,8-dioxo-10-phenoxycarbonyl-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4-carboxylate
CID 86622886
phenyl pyrido[3,4-b]indole-9-carboxylate
CID 86206232
phenyl (E)-3-pyrrolo[1,2-a]quinoxalin-3-ylprop-2-enoate
CID 176903070
ethyl 3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylate
CID 167963488
phenyl 1-methylindole-2-carboxylate
CID 47299897
phenyl 5-methylthiadiazole-4-carboxylate
CID 141237809
(4-phenylphenyl) 3-(1-methylbenzimidazol-2-yl)benzoate
CID 20556662
imidazo[1,5-a]quinoxaline;hydrochloride
CID 139878722
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
[4-(1-benzylbenzimidazol-2-yl)phenyl] 4-bromobenzoate
CID 110494106
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959

Frequently Asked Questions

What is the IUPAC name of phenyl imidazo[1,5-a]quinoxaline-4-carboxylate?
The IUPAC name of phenyl imidazo[1,5-a]quinoxaline-4-carboxylate (CID 54309800) is phenyl imidazo[1,5-a]quinoxaline-4-carboxylate.
What is the SMILES notation for phenyl imidazo[1,5-a]quinoxaline-4-carboxylate?
The canonical SMILES for phenyl imidazo[1,5-a]quinoxaline-4-carboxylate is O=C(Oc1ccccc1)c1nc2ccccc2n2cncc12.
What is the InChIKey of phenyl imidazo[1,5-a]quinoxaline-4-carboxylate?
The InChIKey is SKBTXZDAOKVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-17(22-12-6-2-1-3-7-12)16-15-10-18-11-20(15)14-9-5-4-8-13(14)19-16/h1-11H.
What are the key properties of phenyl imidazo[1,5-a]quinoxaline-4-carboxylate?
phenyl imidazo[1,5-a]quinoxaline-4-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl imidazo[1,5-a]quinoxaline-4-carboxylate is sourced from PubChem (CID 54309800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).