tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane

C65H82N12O8 — CID 161315151

About tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane

tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane (PubChem CID 161315151) has the molecular formula C65H82N12O8 and a molecular weight of 1159.45 g/mol. Its IUPAC name is tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane.

Molecular Properties

• Compound Name: tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane
• PubChem CID: 161315151
• Molecular Formula: C65H82N12O8
• Molecular Weight: 1159.45 g/mol
• Exact Mass: 1158.64
• IUPAC Name: tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane
• SMILES: C.CC(=O)OC(c1c(C)ccc2c1cnn2C1CCCCO1)c1cccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc12.Cc1ccc2c(cnn2C2CCCCO2)c1Cc1cccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc12
• InChI: InChI=1S/C33H40N6O5.C31H38N6O3.CH4/c1-21-12-13-26-25(19-36-39(26)27-11-6-7-18-42-27)28(21)30(43-22(2)40)23-9-8-10-24-29(23)34-20-35-31(24)37-14-16-38(17-15-37)32(41)44-33(3,4)5;1-21-11-12-26-25(19-34-37(26)27-10-5-6-17-39-27)24(21)18-22-8-7-9-23-28(22)32-20-33-29(23)35-13-15-36(16-14-35)30(38)40-31(2,3)4;/h8-10,12-13,19-20,27,30H,6-7,11,14-18H2,1-5H3;7-9,11-12,19-20,27H,5-6,10,13-18H2,1-4H3;1H4
• InChIKey: VJJYLTCAASMLOQ-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 197.52 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.45
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane?

The IUPAC name of tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane (CID 161315151) is tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane.

What is the SMILES notation for tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane?

The canonical SMILES for tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane is C.CC(=O)OC(c1c(C)ccc2c1cnn2C1CCCCO1)c1cccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc12.Cc1ccc2c(cnn2C2CCCCO2)c1Cc1cccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc12.

What is the InChIKey of tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane?

The InChIKey is VJJYLTCAASMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O5.C31H38N6O3.CH4/c1-21-12-13-26-25(19-36-39(26)27-11-6-7-18-42-27)28(21)30(43-22(2)40)23-9-8-10-24-29(23)34-20-35-31(24)37-14-16-38(17-15-37)32(41)44-33(3,4)5;1-21-11-12-26-25(19-34-37(26)27-10-5-6-17-39-27)24(21)18-22-8-7-9-23-28(22)32-20-33-29(23)35-13-15-36(16-14-35)30(38)40-31(2,3)4;/h8-10,12-13,19-20,27,30H,6-7,11,14-18H2,1-5H3;7-9,11-12,19-20,27H,5-6,10,13-18H2,1-4H3;1H4.

What are the key properties of tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane?

tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane has a molecular weight of 1159.45 g/mol, XLogP of 11.97, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[8-[acetyloxy-[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-[[5-methyl-1-(oxan-2-yl)indazol-4-yl]methyl]quinazolin-4-yl]piperazine-1-carboxylate;methane is sourced from PubChem (CID 161315151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).