Methyl quinoline-8-carboximidate

C₁₁H₁₀N₂O — CID 63970769

About Methyl quinoline-8-carboximidate

Methyl quinoline-8-carboximidate (PubChem CID 63970769) has the molecular formula C₁₁H₁₀N₂O and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl quinoline-8-carboximidate.

Molecular Properties

• Compound Name: Methyl quinoline-8-carboximidate
• PubChem CID: 63970769
• Molecular Formula: C₁₁H₁₀N₂O
• Molecular Weight: 186.21 g/mol
• Exact Mass: 186.08
• IUPAC Name: methyl quinoline-8-carboximidate
• SMILES: [H]/N=C(\OC)c1cccc2cccnc12
• InChI: InChI=1S/C11H10N2O/c1-14-11(12)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,12H,1H3/b12-11-
• InChIKey: NXYKXNHHKAHURZ-QXMHVHEDSA-N
• XLogP: 2.21
• TPSA: 45.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.21
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methyl quinoline-8-carboximidate?

The IUPAC name of Methyl quinoline-8-carboximidate (CID 63970769) is methyl quinoline-8-carboximidate.

What is the SMILES notation for Methyl quinoline-8-carboximidate?

The canonical SMILES for Methyl quinoline-8-carboximidate is [H]/N=C(\OC)c1cccc2cccnc12.

What is the InChIKey of Methyl quinoline-8-carboximidate?

The InChIKey is NXYKXNHHKAHURZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-11(12)9-6-2-4-8-5-3-7-13-10(8)9/h2-7,12H,1H3/b12-11-.

What are the key properties of Methyl quinoline-8-carboximidate?

Methyl quinoline-8-carboximidate has a molecular weight of 186.21 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl quinoline-8-carboximidate is sourced from PubChem (CID 63970769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63970769 — identifiers, structure, computed properties (public domain)

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