6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one

C15H9ClN4O4 — CID 3937787

IUPAC6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one
SMILESO=c1[nH]c2c([N+](=O)[O-])cc(Cl)cc2nc1C=C(O)c1ccncc1
InChIInChI=1S/C15H9ClN4O4/c16-9-5-10-14(12(6-9)20(23)24)19-15(22)11(18-10)7-13(21)8-1-3-17-4-2-8/h1-7,21H,(H,19,22)
InChIKeyJBHFLGCNPZOIKE-UHFFFAOYSA-N
MW344.71 g/mol
LogP2.94
Rot. Bonds3

About 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one

6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one (PubChem CID 3937787) has the molecular formula C15H9ClN4O4 and a molecular weight of 344.71 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one
PubChem CID3937787
Molecular FormulaC15H9ClN4O4
Molecular Weight344.71 g/mol
Exact Mass344.03
IUPAC Name6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one
SMILESO=c1[nH]c2c([N+](=O)[O-])cc(Cl)cc2nc1C=C(O)c1ccncc1
InChIInChI=1S/C15H9ClN4O4/c16-9-5-10-14(12(6-9)20(23)24)19-15(22)11(18-10)7-13(21)8-1-3-17-4-2-8/h1-7,21H,(H,19,22)
InChIKeyJBHFLGCNPZOIKE-UHFFFAOYSA-N
XLogP2.94
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-[2-(4-fluorophenyl)-2-hydroxyethenyl]-8-nitro-1H-quinoxalin-2-one
CID 3937790
6-chloro-3-[(Z)-2-hydroxy-2-naphthalen-1-ylethenyl]-8-nitro-1H-quinoxalin-2-one
CID 135493799
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
5-chloro-7-nitro-1H-indole-2-carboxylic acid
CID 59542969
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
(E)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135403093
2,5-dichloro-7-nitro-1H-indole-3-carbaldehyde
CID 3538847
2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949237
6-fluoro-8-nitro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553118
3-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 135949253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one?
The IUPAC name of 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one (CID 3937787) is 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one?
The canonical SMILES for 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one is O=c1[nH]c2c([N+](=O)[O-])cc(Cl)cc2nc1C=C(O)c1ccncc1.
What is the InChIKey of 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one?
The InChIKey is JBHFLGCNPZOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O4/c16-9-5-10-14(12(6-9)20(23)24)19-15(22)11(18-10)7-13(21)8-1-3-17-4-2-8/h1-7,21H,(H,19,22).
What are the key properties of 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one?
6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one has a molecular weight of 344.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxy-2-pyridin-4-ylethenyl)-8-nitro-1H-quinoxalin-2-one is sourced from PubChem (CID 3937787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).