N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine

C27H33FN4O3 — CID 143466898

About N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine

N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine (PubChem CID 143466898) has the molecular formula C27H33FN4O3 and a molecular weight of 480.58 g/mol. Its IUPAC name is N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine.

Molecular Properties

• Compound Name: N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine
• PubChem CID: 143466898
• Molecular Formula: C27H33FN4O3
• Molecular Weight: 480.58 g/mol
• Exact Mass: 480.25
• IUPAC Name: N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine
• SMILES: CCCCCN(C)CCCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC
• InChI: InChI=1S/C27H33FN4O3/c1-5-6-7-11-32(3)12-8-13-34-25-16-22-20(15-24(25)33-4)27(30-17-29-22)35-23-10-9-21-19(26(23)28)14-18(2)31-21/h9-10,14-17,31H,5-8,11-13H2,1-4H3
• InChIKey: HVYHHXHXESUURP-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 72.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.58
LogP ≤ 5	6.25
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-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine?

The IUPAC name of N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine (CID 143466898) is N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine.

What is the SMILES notation for N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine?

The canonical SMILES for N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine is CCCCCN(C)CCCOc1cc2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2cc1OC.

What is the InChIKey of N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine?

The InChIKey is HVYHHXHXESUURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O3/c1-5-6-7-11-32(3)12-8-13-34-25-16-22-20(15-24(25)33-4)27(30-17-29-22)35-23-10-9-21-19(26(23)28)14-18(2)31-21/h9-10,14-17,31H,5-8,11-13H2,1-4H3.

What are the key properties of N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine?

N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine has a molecular weight of 480.58 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypropyl]-N-methylpentan-1-amine is sourced from PubChem (CID 143466898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).