tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate

C29H34N4O5 — CID 70206226

About tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate

tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate (PubChem CID 70206226) has the molecular formula C29H34N4O5 and a molecular weight of 518.61 g/mol. Its IUPAC name is tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate.

Molecular Properties

• Compound Name: tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate
• PubChem CID: 70206226
• Molecular Formula: C29H34N4O5
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.25
• IUPAC Name: tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate
• SMILES: COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OC(C(=O)OC(C)(C)C)C1CCNCC1
• InChI: InChI=1S/C29H34N4O5/c1-17-12-19-13-20(6-7-22(19)33-17)36-27-21-14-24(35-5)25(15-23(21)31-16-32-27)37-26(18-8-10-30-11-9-18)28(34)38-29(2,3)4/h6-7,12-16,18,26,30,33H,8-11H2,1-5H3
• InChIKey: MTGCCGRJBKXUMH-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 107.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate?

The IUPAC name of tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate (CID 70206226) is tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate.

What is the SMILES notation for tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate?

The canonical SMILES for tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate is COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OC(C(=O)OC(C)(C)C)C1CCNCC1.

What is the InChIKey of tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate?

The InChIKey is MTGCCGRJBKXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O5/c1-17-12-19-13-20(6-7-22(19)33-17)36-27-21-14-24(35-5)25(15-23(21)31-16-32-27)37-26(18-8-10-30-11-9-18)28(34)38-29(2,3)4/h6-7,12-16,18,26,30,33H,8-11H2,1-5H3.

What are the key properties of tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate?

tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate has a molecular weight of 518.61 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxy-2-piperidin-4-ylacetate is sourced from PubChem (CID 70206226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).