[(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate

C23H21NO3 — CID 6523248

About [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate

[(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate (PubChem CID 6523248) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate.

Molecular Properties

• Compound Name: [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate
• PubChem CID: 6523248
• Molecular Formula: C23H21NO3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.15
• IUPAC Name: [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate
• SMILES: COc1ccc2c(c1C)CCC/C2=N/OC(=O)c1cccc2ccccc12
• InChI: InChI=1S/C23H21NO3/c1-15-17-10-6-12-21(19(17)13-14-22(15)26-2)24-27-23(25)20-11-5-8-16-7-3-4-9-18(16)20/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3/b24-21-
• InChIKey: MGQYFTGIQUKURW-FLFQWRMESA-N
• XLogP: 5.05
• TPSA: 47.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate?

The IUPAC name of [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate (CID 6523248) is [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate.

What is the SMILES notation for [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate?

The canonical SMILES for [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate is COc1ccc2c(c1C)CCC/C2=N/OC(=O)c1cccc2ccccc12.

What is the InChIKey of [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate?

The InChIKey is MGQYFTGIQUKURW-FLFQWRMESA-N. The full InChI is InChI=1S/C23H21NO3/c1-15-17-10-6-12-21(19(17)13-14-22(15)26-2)24-27-23(25)20-11-5-8-16-7-3-4-9-18(16)20/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3/b24-21-.

What are the key properties of [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate?

[(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-(6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] naphthalene-1-carboxylate is sourced from PubChem (CID 6523248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).