N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine

C33H34N4O — CID 70245829

About N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine

N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine (PubChem CID 70245829) has the molecular formula C33H34N4O and a molecular weight of 502.66 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine
• PubChem CID: 70245829
• Molecular Formula: C33H34N4O
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.27
• IUPAC Name: N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine
• SMILES: COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1C=Cc1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C33H34N4O/c1-32(2)13-14-33(3,4)27-16-21(7-10-26(27)32)6-8-23-18-25-29(19-30(23)38-5)35-20-36-31(25)37-24-9-11-28-22(17-24)12-15-34-28/h6-12,15-20,34H,13-14H2,1-5H3,(H,35,36,37)
• InChIKey: DURBXZZIEXAMES-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine?

The IUPAC name of N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine (CID 70245829) is N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine.

What is the SMILES notation for N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine?

The canonical SMILES for N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine is COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1C=Cc1ccc2c(c1)C(C)(C)CCC2(C)C.

What is the InChIKey of N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine?

The InChIKey is DURBXZZIEXAMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O/c1-32(2)13-14-33(3,4)27-16-21(7-10-26(27)32)6-8-23-18-25-29(19-30(23)38-5)35-20-36-31(25)37-24-9-11-28-22(17-24)12-15-34-28/h6-12,15-20,34H,13-14H2,1-5H3,(H,35,36,37).

What are the key properties of N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine?

N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine has a molecular weight of 502.66 g/mol, XLogP of 8.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine is sourced from PubChem (CID 70245829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).