2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

C₃₀H₂₄N₆O₂ — CID 10481103

About 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 10481103) has the molecular formula C₃₀H₂₄N₆O₂ and a molecular weight of 500.56 g/mol. Its IUPAC name is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
• PubChem CID: 10481103
• Molecular Formula: C₃₀H₂₄N₆O₂
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.20
• IUPAC Name: 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
• SMILES: O=C(Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1)NCc1ccc(-c2nn[nH]n2)cc1
• InChI: InChI=1S/C30H24N6O2/c37-29(31-18-20-5-8-23(9-6-20)30-33-35-36-34-30)16-21-7-10-25-17-27(14-12-24(25)15-21)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-15,17H,16,18-19H2,(H,31,37)(H,33,34,35,36)
• InChIKey: VRNGVHXOTQCSCX-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?

The IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (CID 10481103) is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.

What is the SMILES notation for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?

The canonical SMILES for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is O=C(Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1)NCc1ccc(-c2nn[nH]n2)cc1.

What is the InChIKey of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?

The InChIKey is VRNGVHXOTQCSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O2/c37-29(31-18-20-5-8-23(9-6-20)30-33-35-36-34-30)16-21-7-10-25-17-27(14-12-24(25)15-21)38-19-26-13-11-22-3-1-2-4-28(22)32-26/h1-15,17H,16,18-19H2,(H,31,37)(H,33,34,35,36).

What are the key properties of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?

2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 500.56 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10481103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10481103 — identifiers, structure, computed properties (public domain)

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