3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate

C137H136BBrCl6N22O17 — CID 158440100

About 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate

3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate (PubChem CID 158440100) has the molecular formula C137H136BBrCl6N22O17 and a molecular weight of 2666.17 g/mol. Its IUPAC name is 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate
• PubChem CID: 158440100
• Molecular Formula: C137H136BBrCl6N22O17
• Molecular Weight: 2666.17 g/mol
• Exact Mass: 2660.79
• IUPAC Name: 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate
• SMILES: CC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.CCOC(=O)C1CCCc2cc(-c3cc(Cl)ccc3N)cnc21.CCOC(=O)C1CCCc2cc(Br)cnc21.COC(=O)Nc1ccc(-c2cnc(C3CCCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cnc43)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc(C3CCCc4cc(-c5cc(Cl)ccc5N)cnc43)[nH]2)cc1.COC(=O)Nc1ccc(C(=O)COC(=O)C2CCCc3cc(-c4cc(Cl)ccc4N)cnc32)cc1.Nc1ccc(Cl)cc1-c1cnc2c(c1)CCCC2C(=O)O
• InChI: InChI=1S/C27H23ClN8O2.C26H24ClN5O2.C26H24ClN3O5.C18H19ClN2O2.C16H15ClN2O2.C12H17BClNO2.C12H14BrNO2/c1-38-27(37)32-20-8-5-16(6-9-20)23-14-30-26(33-23)21-4-2-3-17-11-18(13-29-25(17)21)22-12-19(28)7-10-24(22)36-15-31-34-35-36;1-34-26(33)31-19-8-5-15(6-9-19)23-14-30-25(32-23)20-4-2-3-16-11-17(13-29-24(16)20)21-12-18(27)7-10-22(21)28;1-34-26(33)30-19-8-5-15(6-9-19)23(31)14-35-25(32)20-4-2-3-16-11-17(13-29-24(16)20)21-12-18(27)7-10-22(21)28;1-2-23-18(22)14-5-3-4-11-8-12(10-21-17(11)14)15-9-13(19)6-7-16(15)20;17-11-4-5-14(18)13(7-11)10-6-9-2-1-3-12(16(20)21)15(9)19-8-10;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;1-2-16-12(15)10-5-3-4-8-6-9(13)7-14-11(8)10/h5-15,21H,2-4H2,1H3,(H,30,33)(H,32,37);5-14,20H,2-4,28H2,1H3,(H,30,32)(H,31,33);5-13,20H,2-4,14,28H2,1H3,(H,30,33);6-10,14H,2-5,20H2,1H3;4-8,12H,1-3,18H2,(H,20,21);5-7H,15H2,1-4H3;6-7,10H,2-5H2,1H3
• InChIKey: HCSGRHFIDUSYRI-UHFFFAOYSA-N
• XLogP: 28.95
• TPSA: 575.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.17
LogP ≤ 5	28.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate?

The IUPAC name of 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate (CID 158440100) is 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate.

What is the SMILES notation for 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate?

The canonical SMILES for 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate is CC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C.CCOC(=O)C1CCCc2cc(-c3cc(Cl)ccc3N)cnc21.CCOC(=O)C1CCCc2cc(Br)cnc21.COC(=O)Nc1ccc(-c2cnc(C3CCCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cnc43)[nH]2)cc1.COC(=O)Nc1ccc(-c2cnc(C3CCCc4cc(-c5cc(Cl)ccc5N)cnc43)[nH]2)cc1.COC(=O)Nc1ccc(C(=O)COC(=O)C2CCCc3cc(-c4cc(Cl)ccc4N)cnc32)cc1.Nc1ccc(Cl)cc1-c1cnc2c(c1)CCCC2C(=O)O.

What is the InChIKey of 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate?

The InChIKey is HCSGRHFIDUSYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN8O2.C26H24ClN5O2.C26H24ClN3O5.C18H19ClN2O2.C16H15ClN2O2.C12H17BClNO2.C12H14BrNO2/c1-38-27(37)32-20-8-5-16(6-9-20)23-14-30-26(33-23)21-4-2-3-17-11-18(13-29-25(17)21)22-12-19(28)7-10-24(22)36-15-31-34-35-36;1-34-26(33)31-19-8-5-15(6-9-19)23-14-30-25(32-23)20-4-2-3-16-11-17(13-29-24(16)20)21-12-18(27)7-10-22(21)28;1-34-26(33)30-19-8-5-15(6-9-19)23(31)14-35-25(32)20-4-2-3-16-11-17(13-29-24(16)20)21-12-18(27)7-10-22(21)28;1-2-23-18(22)14-5-3-4-11-8-12(10-21-17(11)14)15-9-13(19)6-7-16(15)20;17-11-4-5-14(18)13(7-11)10-6-9-2-1-3-12(16(20)21)15(9)19-8-10;1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15;1-2-16-12(15)10-5-3-4-8-6-9(13)7-14-11(8)10/h5-15,21H,2-4H2,1H3,(H,30,33)(H,32,37);5-14,20H,2-4,28H2,1H3,(H,30,32)(H,31,33);5-13,20H,2-4,14,28H2,1H3,(H,30,33);6-10,14H,2-5,20H2,1H3;4-8,12H,1-3,18H2,(H,20,21);5-7H,15H2,1-4H3;6-7,10H,2-5H2,1H3.

What are the key properties of 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate?

3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate has a molecular weight of 2666.17 g/mol, XLogP of 28.95, 23 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylic acid;4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;ethyl 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;ethyl 3-bromo-5,6,7,8-tetrahydroquinoline-8-carboxylate;[2-[4-(methoxycarbonylamino)phenyl]-2-oxoethyl] 3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinoline-8-carboxylate;methyl N-[4-[2-[3-(2-amino-5-chlorophenyl)-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate;methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]-1H-imidazol-5-yl]phenyl]carbamate is sourced from PubChem (CID 158440100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).