4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one

C18H11N3O3 — CID 137251028

IUPAC4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/C=N/c1ccc2nccnc2c1
InChIInChI=1S/C18H11N3O3/c22-17-12-3-1-2-4-16(12)24-18(23)13(17)10-21-11-5-6-14-15(9-11)20-8-7-19-14/h1-10,22H/b21-10+
InChIKeyZBTDKGQNIUQAEC-UFFVCSGVSA-N
MW317.30 g/mol
LogP3.19
Rot. Bonds2

About 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one

4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one (PubChem CID 137251028) has the molecular formula C18H11N3O3 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one
PubChem CID137251028
Molecular FormulaC18H11N3O3
Molecular Weight317.30 g/mol
Exact Mass317.08
IUPAC Name4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/C=N/c1ccc2nccnc2c1
InChIInChI=1S/C18H11N3O3/c22-17-12-3-1-2-4-16(12)24-18(23)13(17)10-21-11-5-6-14-15(9-11)20-8-7-19-14/h1-10,22H/b21-10+
InChIKeyZBTDKGQNIUQAEC-UFFVCSGVSA-N
XLogP3.19
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dimethylphenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135460522
3-[(4-fluorophenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135437457
3-[(3-fluoro-4-methylphenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135485045
4-hydroxy-3-[[3-(trifluoromethyl)phenyl]iminomethyl]chromen-2-one
CID 135460928
4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzonitrile
CID 135533419
4-hydroxy-3-[[4-(2-oxochromen-3-yl)phenyl]iminomethyl]chromen-2-one
CID 135638599
4-hydroxy-3-[(E)-(6-methyl-2-pyridinyl)iminomethyl]chromen-2-one
CID 135415446
4-hydroxy-3-[(E)-1,2,4-triazol-4-yliminomethyl]chromen-2-one
CID 135535959
4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one
CID 137251008
4-hydroxy-3-[(E)-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]iminomethyl]chromen-2-one
CID 135472690
methyl 2-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzoate
CID 135485025
3-[(4-chlorophenyl)iminomethyl]-4,7-dihydroxychromen-2-one
CID 137304097

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one (CID 137251028) is 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one is O=c1oc2ccccc2c(O)c1/C=N/c1ccc2nccnc2c1.
What is the InChIKey of 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one?
The InChIKey is ZBTDKGQNIUQAEC-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H11N3O3/c22-17-12-3-1-2-4-16(12)24-18(23)13(17)10-21-11-5-6-14-15(9-11)20-8-7-19-14/h1-10,22H/b21-10+.
What are the key properties of 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one?
4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one has a molecular weight of 317.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(quinoxalin-6-yliminomethyl)chromen-2-one is sourced from PubChem (CID 137251028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).