4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide

C18H15N3O2 — CID 172709506

IUPAC4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=Cc2cccc3ncccc23)cc1
InChIInChI=1S/C18H15N3O2/c1-23-15-9-7-13(8-10-15)18(22)21-20-12-14-4-2-6-17-16(14)5-3-11-19-17/h2-12H,1H3,(H,21,22)
InChIKeyFBAKXYIVPWYUPB-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.01
Rot. Bonds4

About 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide

4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide (PubChem CID 172709506) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
PubChem CID172709506
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
SMILESCOc1ccc(C(=O)NN=Cc2cccc3ncccc23)cc1
InChIInChI=1S/C18H15N3O2/c1-23-15-9-7-13(8-10-15)18(22)21-20-12-14-4-2-6-17-16(14)5-3-11-19-17/h2-12H,1H3,(H,21,22)
InChIKeyFBAKXYIVPWYUPB-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'}

Analyze 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 4997386
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836
4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
CID 54345301
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide?
The IUPAC name of 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide (CID 172709506) is 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide?
The canonical SMILES for 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide is COc1ccc(C(=O)NN=Cc2cccc3ncccc23)cc1.
What is the InChIKey of 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide?
The InChIKey is FBAKXYIVPWYUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-15-9-7-13(8-10-15)18(22)21-20-12-14-4-2-6-17-16(14)5-3-11-19-17/h2-12H,1H3,(H,21,22).
What are the key properties of 4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide?
4-methoxy-N-(quinolin-5-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-5-ylmethylideneamino)benzamide is sourced from PubChem (CID 172709506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).