4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide

C18H15N3O2 — CID 6897109

IUPAC4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1
InChIInChI=1S/C18H15N3O2/c1-23-16-9-7-14(8-10-16)18(22)21-20-12-15-5-2-4-13-6-3-11-19-17(13)15/h2-12H,1H3,(H,21,22)/b20-12+
InChIKeyUBFQNXKUFVAOGC-UDWIEESQSA-N
MW305.34 g/mol
LogP3.01
Rot. Bonds4

About 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide

4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide (PubChem CID 6897109) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide
PubChem CID6897109
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1
InChIInChI=1S/C18H15N3O2/c1-23-16-9-7-14(8-10-16)18(22)21-20-12-15-5-2-4-13-6-3-11-19-17(13)15/h2-12H,1H3,(H,21,22)/b20-12+
InChIKeyUBFQNXKUFVAOGC-UDWIEESQSA-N
XLogP3.01
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide (CID 6897109) is 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide is COc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide?
The InChIKey is UBFQNXKUFVAOGC-UDWIEESQSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-16-9-7-14(8-10-16)18(22)21-20-12-15-5-2-4-13-6-3-11-19-17(13)15/h2-12H,1H3,(H,21,22)/b20-12+.
What are the key properties of 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide?
4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-quinolin-8-ylmethylideneamino]benzamide is sourced from PubChem (CID 6897109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).