Methyl 3-amino-7-methylquinoline-4-carboxylate

C₁₂H₁₂N₂O₂ — CID 115029491

About Methyl 3-amino-7-methylquinoline-4-carboxylate

Methyl 3-amino-7-methylquinoline-4-carboxylate (PubChem CID 115029491) has the molecular formula C₁₂H₁₂N₂O₂ and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 3-amino-7-methylquinoline-4-carboxylate.

Molecular Properties

• Compound Name: Methyl 3-amino-7-methylquinoline-4-carboxylate
• PubChem CID: 115029491
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.24 g/mol
• Exact Mass: 216.09
• IUPAC Name: methyl 3-amino-7-methylquinoline-4-carboxylate
• SMILES: COC(=O)c1c(N)cnc2cc(C)ccc12
• InChI: InChI=1S/C12H12N2O2/c1-7-3-4-8-10(5-7)14-6-9(13)11(8)12(15)16-2/h3-6H,13H2,1-2H3
• InChIKey: IYVCQIZAJIWXBZ-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 65.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.24
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 3-amino-7-methylquinoline-4-carboxylate?

The IUPAC name of Methyl 3-amino-7-methylquinoline-4-carboxylate (CID 115029491) is methyl 3-amino-7-methylquinoline-4-carboxylate.

What is the SMILES notation for Methyl 3-amino-7-methylquinoline-4-carboxylate?

The canonical SMILES for Methyl 3-amino-7-methylquinoline-4-carboxylate is COC(=O)c1c(N)cnc2cc(C)ccc12.

What is the InChIKey of Methyl 3-amino-7-methylquinoline-4-carboxylate?

The InChIKey is IYVCQIZAJIWXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-3-4-8-10(5-7)14-6-9(13)11(8)12(15)16-2/h3-6H,13H2,1-2H3.

What are the key properties of Methyl 3-amino-7-methylquinoline-4-carboxylate?

Methyl 3-amino-7-methylquinoline-4-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 3-amino-7-methylquinoline-4-carboxylate is sourced from PubChem (CID 115029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115029491 — identifiers, structure, computed properties (public domain)

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