4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one

C18H13N5O4 — CID 137251008

IUPAC4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one
SMILESCOc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1-c1nn[nH]n1
InChIInChI=1S/C18H13N5O4/c1-26-14-7-6-10(8-12(14)17-20-22-23-21-17)19-9-13-16(24)11-4-2-3-5-15(11)27-18(13)25/h2-9,24H,1H3,(H,20,21,22,23)/b19-9+
InChIKeyXWLGIOGFDKWQNX-DJKKODMXSA-N
MW363.33 g/mol
LogP2.44
Rot. Bonds4

About 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one

4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one (PubChem CID 137251008) has the molecular formula C18H13N5O4 and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one
PubChem CID137251008
Molecular FormulaC18H13N5O4
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC Name4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one
SMILESCOc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1-c1nn[nH]n1
InChIInChI=1S/C18H13N5O4/c1-26-14-7-6-10(8-12(14)17-20-22-23-21-17)19-9-13-16(24)11-4-2-3-5-15(11)27-18(13)25/h2-9,24H,1H3,(H,20,21,22,23)/b19-9+
InChIKeyXWLGIOGFDKWQNX-DJKKODMXSA-N
XLogP2.44
TPSA126.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(quinoxalin-6-yliminomethyl)chromen-2-one
CID 137251028
4-hydroxy-3-[[3-(trifluoromethyl)phenyl]iminomethyl]chromen-2-one
CID 135460928
4-hydroxy-3-[[4-(2-oxochromen-3-yl)phenyl]iminomethyl]chromen-2-one
CID 135638599
4-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzonitrile
CID 135533419
methyl 2-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzoate
CID 135485025
4-hydroxy-3-[(E)-(6-methyl-2-pyridinyl)iminomethyl]chromen-2-one
CID 135415446
N-dibenzofuran-2-yl-1-(2-methoxynaphthalen-1-yl)methanimine
CID 23881648
3-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)iminomethyl]-4-hydroxychromen-2-one
CID 135638390
4-hydroxy-3-[(E)-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]iminomethyl]chromen-2-one
CID 135472690

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one (CID 137251008) is 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one is COc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1-c1nn[nH]n1.
What is the InChIKey of 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one?
The InChIKey is XWLGIOGFDKWQNX-DJKKODMXSA-N. The full InChI is InChI=1S/C18H13N5O4/c1-26-14-7-6-10(8-12(14)17-20-22-23-21-17)19-9-13-16(24)11-4-2-3-5-15(11)27-18(13)25/h2-9,24H,1H3,(H,20,21,22,23)/b19-9+.
What are the key properties of 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one?
4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one has a molecular weight of 363.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]iminomethyl]chromen-2-one is sourced from PubChem (CID 137251008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).