4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

C18H15N3O3 — CID 135460622

IUPAC4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H15N3O3/c1-24-15-8-6-12(7-9-15)18(23)21-19-11-14-10-13-4-2-3-5-16(13)20-17(14)22/h2-11H,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyJDYREAOIIJFTHD-YBFXNURJSA-N
MW321.34 g/mol
LogP2.30
Rot. Bonds4

About 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (PubChem CID 135460622) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
PubChem CID135460622
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H15N3O3/c1-24-15-8-6-12(7-9-15)18(23)21-19-11-14-10-13-4-2-3-5-16(13)20-17(14)22/h2-11H,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyJDYREAOIIJFTHD-YBFXNURJSA-N
XLogP2.30
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Encainide
CID 48041
Encainide Hydrochloride
CID 48040
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CID 346046
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CID 758936
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
4-methoxy-N-phenylbenzamide
CID 346037
4-methoxy-N',N'-diphenylbenzohydrazide
CID 710649
N-(2-ethylphenyl)-4-methoxybenzamide
CID 710654
4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 952362
2-[N'-(4-Methoxy-benzoyl)-hydrazino]-2-oxo-N-p-tolyl-acetamide
CID 3117687
N-(3-Fluoro-phenyl)-3-{[2-(4-methoxy-phenyl)-acetyl]-hydrazono}-butyramide
CID 9594173
2-[(4-Methoxybenzoyl)amino]benzamide
CID 819664

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (CID 135460622) is 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The InChIKey is JDYREAOIIJFTHD-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-24-15-8-6-12(7-9-15)18(23)21-19-11-14-10-13-4-2-3-5-16(13)20-17(14)22/h2-11H,1H3,(H,20,22)(H,21,23)/b19-11+.
What are the key properties of 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide has a molecular weight of 321.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135460622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).