4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide

C18H15N3O2 — CID 54345301

IUPAC4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15N3O2/c1-23-16-10-7-14(8-11-16)18(22)21-19-12-15-9-6-13-4-2-3-5-17(13)20-15/h2-12H,1H3,(H,21,22)
InChIKeyUBWZIOIGUPTFJU-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.01
Rot. Bonds4

About 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide

4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide (PubChem CID 54345301) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
PubChem CID54345301
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H15N3O2/c1-23-16-10-7-14(8-11-16)18(22)21-19-12-15-9-6-13-4-2-3-5-17(13)20-15/h2-12H,1H3,(H,21,22)
InChIKeyUBWZIOIGUPTFJU-UHFFFAOYSA-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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Related Compounds

4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 139203008
3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
CID 118569920
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
3,4,5-trihexadecoxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 177489664
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
CID 172709506
4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
2-methoxy-N-(quinoxalin-2-ylmethylideneamino)benzamide
CID 821630
2-methoxy-N-[(E)-quinoxalin-2-ylmethylideneamino]benzamide
CID 6871314

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide?
The IUPAC name of 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide (CID 54345301) is 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide?
The canonical SMILES for 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide is COc1ccc(C(=O)NN=Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide?
The InChIKey is UBWZIOIGUPTFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-16-10-7-14(8-11-16)18(22)21-19-12-15-9-6-13-4-2-3-5-17(13)20-15/h2-12H,1H3,(H,21,22).
What are the key properties of 4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide?
4-methoxy-N-(quinolin-2-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-(quinolin-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 54345301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).