tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C165H211ClN22O24 — CID 162172614

About tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 162172614) has the molecular formula C165H211ClN22O24 and a molecular weight of 2922.09 g/mol. Its IUPAC name is tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

• Compound Name: tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
• PubChem CID: 162172614
• Molecular Formula: C165H211ClN22O24
• Molecular Weight: 2922.09 g/mol
• Exact Mass: 2919.57
• IUPAC Name: tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
• SMILES: CCOC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.CCOC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC21CCN(c2nc3c(c(OCc4ccc(OC)cc4)n2)CCCC3)CC1.COc1ccc(COc2nc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)c3cc(CCl)ccc34)nc3c2CCCC3)cc1.COc1ccc(COc2nc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)c3cc(COCCN5CCOCC5)ccc34)nc3c2CCCC3)cc1.O=c1[nH]c(N2CCC3(CC2)CNc2cc(COCCN4CCOCC4)ccc23)nc2c1CCCC2
• InChI: InChI=1S/C40H53N5O6.C36H44N4O6.C34H41ClN4O4.C28H36N4O5.C27H37N5O3/c1-39(2,3)51-38(46)45-28-40(33-14-11-30(25-35(33)45)26-49-24-21-43-19-22-48-23-20-43)15-17-44(18-16-40)37-41-34-8-6-5-7-32(34)36(42-37)50-27-29-9-12-31(47-4)13-10-29;1-6-44-32(41)25-13-16-28-30(21-25)40(34(42)46-35(2,3)4)23-36(28)17-19-39(20-18-36)33-37-29-10-8-7-9-27(29)31(38-33)45-22-24-11-14-26(43-5)15-12-24;1-33(2,3)43-32(40)39-22-34(27-14-11-24(20-35)19-29(27)39)15-17-38(18-16-34)31-36-28-8-6-5-7-26(28)30(37-31)42-21-23-9-12-25(41-4)13-10-23;1-5-36-24(34)18-10-11-20-22(16-18)32(26(35)37-27(2,3)4)17-28(20)12-14-31(15-13-28)25-29-21-9-7-6-8-19(21)23(33)30-25;33-25-21-3-1-2-4-23(21)29-26(30-25)32-9-7-27(8-10-32)19-28-24-17-20(5-6-22(24)27)18-35-16-13-31-11-14-34-15-12-31/h9-14,25H,5-8,15-24,26-28H2,1-4H3;11-16,21H,6-10,17-20,22-23H2,1-5H3;9-14,19H,5-8,15-18,20-22H2,1-4H3;10-11,16H,5-9,12-15,17H2,1-4H3,(H,29,30,33);5-6,17,28H,1-4,7-16,18-19H2,(H,29,30,33)
• InChIKey: ZNZIKGKWHORWDM-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 466.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2922.09
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

The IUPAC name of tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 162172614) is tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

What is the SMILES notation for tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

The canonical SMILES for tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCOC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC21CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1.CCOC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC21CCN(c2nc3c(c(OCc4ccc(OC)cc4)n2)CCCC3)CC1.COc1ccc(COc2nc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)c3cc(CCl)ccc34)nc3c2CCCC3)cc1.COc1ccc(COc2nc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)c3cc(COCCN5CCOCC5)ccc34)nc3c2CCCC3)cc1.O=c1[nH]c(N2CCC3(CC2)CNc2cc(COCCN4CCOCC4)ccc23)nc2c1CCCC2.

What is the InChIKey of tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

The InChIKey is ZNZIKGKWHORWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H53N5O6.C36H44N4O6.C34H41ClN4O4.C28H36N4O5.C27H37N5O3/c1-39(2,3)51-38(46)45-28-40(33-14-11-30(25-35(33)45)26-49-24-21-43-19-22-48-23-20-43)15-17-44(18-16-40)37-41-34-8-6-5-7-32(34)36(42-37)50-27-29-9-12-31(47-4)13-10-29;1-6-44-32(41)25-13-16-28-30(21-25)40(34(42)46-35(2,3)4)23-36(28)17-19-39(20-18-36)33-37-29-10-8-7-9-27(29)31(38-33)45-22-24-11-14-26(43-5)15-12-24;1-33(2,3)43-32(40)39-22-34(27-14-11-24(20-35)19-29(27)39)15-17-38(18-16-34)31-36-28-8-6-5-7-26(28)30(37-31)42-21-23-9-12-25(41-4)13-10-23;1-5-36-24(34)18-10-11-20-22(16-18)32(26(35)37-27(2,3)4)17-28(20)12-14-31(15-13-28)25-29-21-9-7-6-8-19(21)23(33)30-25;33-25-21-3-1-2-4-23(21)29-26(30-25)32-9-7-27(8-10-32)19-28-24-17-20(5-6-22(24)27)18-35-16-13-31-11-14-34-15-12-31/h9-14,25H,5-8,15-24,26-28H2,1-4H3;11-16,21H,6-10,17-20,22-23H2,1-5H3;9-14,19H,5-8,15-18,20-22H2,1-4H3;10-11,16H,5-9,12-15,17H2,1-4H3,(H,29,30,33);5-6,17,28H,1-4,7-16,18-19H2,(H,29,30,33).

What are the key properties of tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?

tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 2922.09 g/mol, XLogP of 26.05, 32 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-(chloromethyl)-1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate;1-O-tert-butyl 6-O-ethyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;1-O-tert-butyl 6-O-ethyl 1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2H-indole-3,4'-piperidine]-1,6-dicarboxylate;tert-butyl 1'-[4-[(4-methoxyphenyl)methoxy]-5,6,7,8-tetrahydroquinazolin-2-yl]-6-(2-morpholin-4-ylethoxymethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;2-[6-(2-morpholin-4-ylethoxymethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 162172614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).