3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide

C18H14N2O5 — CID 155490492

IUPAC3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2occ(/C=N/NC(=O)c3cccc(O)c3)c(=O)c2c1
InChIInChI=1S/C18H14N2O5/c1-24-14-5-6-16-15(8-14)17(22)12(10-25-16)9-19-20-18(23)11-3-2-4-13(21)7-11/h2-10,21H,1H3,(H,20,23)/b19-9+
InChIKeyJZUWWIFVKZSSOF-DJKKODMXSA-N
MW338.32 g/mol
LogP2.27
Rot. Bonds4

About 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide

3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide (PubChem CID 155490492) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
PubChem CID155490492
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2occ(/C=N/NC(=O)c3cccc(O)c3)c(=O)c2c1
InChIInChI=1S/C18H14N2O5/c1-24-14-5-6-16-15(8-14)17(22)12(10-25-16)9-19-20-18(23)11-3-2-4-13(21)7-11/h2-10,21H,1H3,(H,20,23)/b19-9+
InChIKeyJZUWWIFVKZSSOF-DJKKODMXSA-N
XLogP2.27
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide;hydrate
CID 139086784
[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]urea
CID 6878010
3,5-dihydroxy-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
CID 6011150
methyl N-[(E)-(7-methoxy-4-oxochromen-3-yl)methylideneamino]carbamate
CID 177382504
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-3-propoxybenzamide
CID 26871479
3-hydroxy-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 6911487
[(7-methoxy-4-oxochromen-3-yl)methylideneamino]thiourea
CID 936348
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6911462
4-butoxy-N-[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]benzamide
CID 17385518
N-(4-methoxyphenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
CID 51060763
3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide
CID 172940474
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide (CID 155490492) is 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide is COc1ccc2occ(/C=N/NC(=O)c3cccc(O)c3)c(=O)c2c1.
What is the InChIKey of 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide?
The InChIKey is JZUWWIFVKZSSOF-DJKKODMXSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-14-5-6-16-15(8-14)17(22)12(10-25-16)9-19-20-18(23)11-3-2-4-13(21)7-11/h2-10,21H,1H3,(H,20,23)/b19-9+.
What are the key properties of 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide?
3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide has a molecular weight of 338.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 155490492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).