N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide

C18H16N2O4 — CID 66845549

IUPACN'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide
SMILESCOc1ccc(-c2oc3ccc(/N=C(\C)N)cc3c(=O)c2O)cc1
InChIInChI=1S/C18H16N2O4/c1-10(19)20-12-5-8-15-14(9-12)16(21)17(22)18(24-15)11-3-6-13(23-2)7-4-11/h3-9,22H,1-2H3,(H2,19,20)
InChIKeyLCRRWEUOMXGFDL-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.18
Rot. Bonds3

About N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide

N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide (PubChem CID 66845549) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide
PubChem CID66845549
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide
SMILESCOc1ccc(-c2oc3ccc(/N=C(\C)N)cc3c(=O)c2O)cc1
InChIInChI=1S/C18H16N2O4/c1-10(19)20-12-5-8-15-14(9-12)16(21)17(22)18(24-15)11-3-6-13(23-2)7-4-11/h3-9,22H,1-2H3,(H2,19,20)
InChIKeyLCRRWEUOMXGFDL-UHFFFAOYSA-N
XLogP3.18
TPSA98.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide?
The IUPAC name of N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide (CID 66845549) is N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide.
What is the SMILES notation for N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide?
The canonical SMILES for N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide is COc1ccc(-c2oc3ccc(/N=C(\C)N)cc3c(=O)c2O)cc1.
What is the InChIKey of N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide?
The InChIKey is LCRRWEUOMXGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-10(19)20-12-5-8-15-14(9-12)16(21)17(22)18(24-15)11-3-6-13(23-2)7-4-11/h3-9,22H,1-2H3,(H2,19,20).
What are the key properties of N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide?
N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide has a molecular weight of 324.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide is sourced from PubChem (CID 66845549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).