(1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C150H167Cl4N11O14 — CID 159758580

About (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 159758580) has the molecular formula C150H167Cl4N11O14 and a molecular weight of 2489.86 g/mol. Its IUPAC name is (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 159758580
• Molecular Formula: C150H167Cl4N11O14
• Molecular Weight: 2489.86 g/mol
• Exact Mass: 2486.14
• IUPAC Name: (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C#Cc3ccccc3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C(C)(C)C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCCN3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCc3ccncc3)ccc2c1-c1ccc(Cl)cc1.COCCOCCCNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1
• InChI: InChI=1S/C32H36N2O3.C31H28ClNO2.C29H36ClN3O3.C29H30ClN3O2.C29H37ClN2O4/c1-18-17-23-21(10-12-25(34-23)31(3,4)5)28(26(18)30(19(2)35)37-32(6,7)8)22-9-11-24-27-20(14-16-36-24)13-15-33-29(22)27;1-20-19-27-26(18-17-25(33-27)16-11-22-9-7-6-8-10-22)29(23-12-14-24(32)15-13-23)28(20)30(21(2)34)35-31(3,4)5;1-19-18-24-23(10-11-25(32-24)31-12-13-33-14-16-35-17-15-33)27(21-6-8-22(30)9-7-21)26(19)28(20(2)34)36-29(3,4)5;1-18-16-24-23(10-11-25(33-24)32-17-20-12-14-31-15-13-20)27(21-6-8-22(30)9-7-21)26(18)28(19(2)34)35-29(3,4)5;1-19-18-24-23(12-13-25(32-24)31-14-7-15-35-17-16-34-6)27(21-8-10-22(30)11-9-21)26(19)28(20(2)33)36-29(3,4)5/h9-13,15,17,30H,14,16H2,1-8H3;6-10,12-15,17-19,30H,1-5H3;6-11,18,28H,12-17H2,1-5H3,(H,31,32);6-16,28H,17H2,1-5H3,(H,32,33);8-13,18,28H,7,14-17H2,1-6H3,(H,31,32)/t2*30-;3*28-/m11111/s1
• InChIKey: NEOUUQAWVCAWLC-PHVVMLDNSA-N
• XLogP: 35.29
• TPSA: 297.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2489.86
LogP ≤ 5	35.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 159758580) is (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C#Cc3ccccc3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C(C)(C)C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCCN3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NCc3ccncc3)ccc2c1-c1ccc(Cl)cc1.COCCOCCCNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.

What is the InChIKey of (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is NEOUUQAWVCAWLC-PHVVMLDNSA-N. The full InChI is InChI=1S/C32H36N2O3.C31H28ClNO2.C29H36ClN3O3.C29H30ClN3O2.C29H37ClN2O4/c1-18-17-23-21(10-12-25(34-23)31(3,4)5)28(26(18)30(19(2)35)37-32(6,7)8)22-9-11-24-27-20(14-16-36-24)13-15-33-29(22)27;1-20-19-27-26(18-17-25(33-27)16-11-22-9-7-6-8-10-22)29(23-12-14-24(32)15-13-23)28(20)30(21(2)34)35-31(3,4)5;1-19-18-24-23(10-11-25(32-24)31-12-13-33-14-16-35-17-15-33)27(21-6-8-22(30)9-7-21)26(19)28(20(2)34)36-29(3,4)5;1-18-16-24-23(10-11-25(33-24)32-17-20-12-14-31-15-13-20)27(21-6-8-22(30)9-7-21)26(18)28(19(2)34)35-29(3,4)5;1-19-18-24-23(12-13-25(32-24)31-14-7-15-35-17-16-34-6)27(21-8-10-22(30)11-9-21)26(19)28(20(2)33)36-29(3,4)5/h9-13,15,17,30H,14,16H2,1-8H3;6-10,12-15,17-19,30H,1-5H3;6-11,18,28H,12-17H2,1-5H3,(H,31,32);6-16,28H,17H2,1-5H3,(H,32,33);8-13,18,28H,7,14-17H2,1-6H3,(H,31,32)/t2*30-;3*28-/m11111/s1.

What are the key properties of (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

(1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2489.86 g/mol, XLogP of 35.29, 35 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[2-tert-butyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-phenylethynyl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 159758580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).