N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

C₂₆H₂₈N₄O₂ — CID 141401056

About N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 141401056) has the molecular formula C₂₆H₂₈N₄O₂ and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
• PubChem CID: 141401056
• Molecular Formula: C₂₆H₂₈N₄O₂
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
• SMILES: COCCOc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2
• InChI: InChI=1S/C26H28N4O2/c1-31-15-16-32-24-17-20-11-5-8-14-23(20)30(24)26-28-22-13-7-6-12-21(22)25(29-26)27-18-19-9-3-2-4-10-19/h2-5,8-11,14,17H,6-7,12-13,15-16,18H2,1H3,(H,27,28,29)
• InChIKey: CLFIHEOMTNOGOY-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 61.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The IUPAC name of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 141401056) is N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.

What is the SMILES notation for N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The canonical SMILES for N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is COCCOc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2.

What is the InChIKey of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?

The InChIKey is CLFIHEOMTNOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-31-15-16-32-24-17-20-11-5-8-14-23(20)30(24)26-28-22-13-7-6-12-21(22)25(29-26)27-18-19-9-3-2-4-10-19/h2-5,8-11,14,17H,6-7,12-13,15-16,18H2,1H3,(H,27,28,29).

What are the key properties of N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?

N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[2-(2-methoxyethoxy)indol-1-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 141401056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141401056 — identifiers, structure, computed properties (public domain)

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