6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline

C28H34N4O4 — CID 57218113

About 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline

6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline (PubChem CID 57218113) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline.

Molecular Properties

• Compound Name: 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
• PubChem CID: 57218113
• Molecular Formula: C28H34N4O4
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.26
• IUPAC Name: 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline
• SMILES: COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCC1CCN(C(C)OC)CC1
• InChI: InChI=1S/C28H34N4O4/c1-18-13-21-14-22(5-6-24(21)31-18)36-28-23-15-26(34-4)27(16-25(23)29-17-30-28)35-12-9-20-7-10-32(11-8-20)19(2)33-3/h5-6,13-17,19-20,31H,7-12H2,1-4H3
• InChIKey: TVRGRCFHXKVJFO-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 81.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?

The IUPAC name of 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline (CID 57218113) is 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline.

What is the SMILES notation for 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?

The canonical SMILES for 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCC1CCN(C(C)OC)CC1.

What is the InChIKey of 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?

The InChIKey is TVRGRCFHXKVJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-18-13-21-14-22(5-6-24(21)31-18)36-28-23-15-26(34-4)27(16-25(23)29-17-30-28)35-12-9-20-7-10-32(11-8-20)19(2)33-3/h5-6,13-17,19-20,31H,7-12H2,1-4H3.

What are the key properties of 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline?

6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline has a molecular weight of 490.60 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-7-[2-[1-(1-methoxyethyl)piperidin-4-yl]ethoxy]-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline is sourced from PubChem (CID 57218113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).