(4-chlorophenyl) quinoxaline-6-carboxylate

C15H9ClN2O2 — CID 900189

IUPAC(4-chlorophenyl) quinoxaline-6-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H9ClN2O2/c16-11-2-4-12(5-3-11)20-15(19)10-1-6-13-14(9-10)18-8-7-17-13/h1-9H
InChIKeyOLHHBEPUKINSSE-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.50
Rot. Bonds2

About (4-chlorophenyl) quinoxaline-6-carboxylate

(4-chlorophenyl) quinoxaline-6-carboxylate (PubChem CID 900189) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is (4-chlorophenyl) quinoxaline-6-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) quinoxaline-6-carboxylate
PubChem CID900189
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name(4-chlorophenyl) quinoxaline-6-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H9ClN2O2/c16-11-2-4-12(5-3-11)20-15(19)10-1-6-13-14(9-10)18-8-7-17-13/h1-9H
InChIKeyOLHHBEPUKINSSE-UHFFFAOYSA-N
XLogP3.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Quinoxalinecarboxylic acid phenyl ester
CID 645032
Quinoxaline-6-carboxylic acid (4-ethoxy-phenyl)-amide
CID 858920
4-Chloro-3-nitro-benzoic acid 4-quinoxalin-2-yl-phenyl ester
CID 1081993
Quinoxaline-6-carboxylic acid m-tolyl ester
CID 1129974
4-(2-Quinoxalinyl)phenyl 2-chloro-5-nitrobenzoate
CID 1336889
(4-Quinoxalin-2-ylphenyl) 3-nitrobenzoate
CID 1115482
Methyl 3-chloroquinoxaline-6-carboxylate
CID 86626324
2-(2-Quinoxalinyl)phenyl 4-fluorobenzoate
CID 680468
(5-chloro-3-pyridinyl) 2H-benzotriazole-5-carboxylate
CID 16204003
N-(4-methyl-2-oxochromen-7-yl)quinoxaline-6-carboxamide
CID 134142292
2,4-Dichlorophenyl quinoxaline-6-carboxylate
CID 2983058
3-(Quinoxalin-2-yl)-2h-chromen-2-one
CID 7090569

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) quinoxaline-6-carboxylate?
The IUPAC name of (4-chlorophenyl) quinoxaline-6-carboxylate (CID 900189) is (4-chlorophenyl) quinoxaline-6-carboxylate.
What is the SMILES notation for (4-chlorophenyl) quinoxaline-6-carboxylate?
The canonical SMILES for (4-chlorophenyl) quinoxaline-6-carboxylate is O=C(Oc1ccc(Cl)cc1)c1ccc2nccnc2c1.
What is the InChIKey of (4-chlorophenyl) quinoxaline-6-carboxylate?
The InChIKey is OLHHBEPUKINSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-11-2-4-12(5-3-11)20-15(19)10-1-6-13-14(9-10)18-8-7-17-13/h1-9H.
What are the key properties of (4-chlorophenyl) quinoxaline-6-carboxylate?
(4-chlorophenyl) quinoxaline-6-carboxylate has a molecular weight of 284.70 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) quinoxaline-6-carboxylate is sourced from PubChem (CID 900189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).