1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C136H137Cl4N11O14 — CID 159578359

About 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 159578359) has the molecular formula C136H137Cl4N11O14 and a molecular weight of 2291.47 g/mol. Its IUPAC name is 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 159578359
• Molecular Formula: C136H137Cl4N11O14
• Molecular Weight: 2291.47 g/mol
• Exact Mass: 2287.91
• IUPAC Name: 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2C)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2ccccc2)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2ccccc2)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nncn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nnnn32)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C35H34N2O4.C30H30ClNO3.C24H24ClN3O2.C24H26ClNO3.C23H23ClN4O2/c1-21-19-27-25(12-14-29(39)37(27)20-23-9-7-6-8-10-23)32(30(21)34(22(2)38)41-35(3,4)5)26-11-13-28-31-24(16-18-40-28)15-17-36-33(26)31;1-19-17-25-24(15-16-26(34)32(25)18-21-9-7-6-8-10-21)28(22-11-13-23(31)14-12-22)27(19)29(20(2)33)35-30(3,4)5;1-14-12-19-18(10-11-20-27-26-13-28(19)20)22(16-6-8-17(25)9-7-16)21(14)23(15(2)29)30-24(3,4)5;1-14-13-19-18(11-12-20(28)26(19)6)22(16-7-9-17(25)10-8-16)21(14)23(15(2)27)29-24(3,4)5;1-13-12-18-17(10-11-19-25-26-27-28(18)19)21(15-6-8-16(24)9-7-15)20(13)22(14(2)29)30-23(3,4)5/h6-15,17,19,34H,16,18,20H2,1-5H3;6-17,29H,18H2,1-5H3;6-13,23H,1-5H3;7-13,23H,1-6H3;6-12,22H,1-5H3/t34-;29-;2*23-;22-/m11111/s1
• InChIKey: MIRRFPHYFNFIRW-OGPQHVOHSA-N
• XLogP: 31.00
• TPSA: 292.89 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2291.47
LogP ≤ 5	31.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 159578359) is 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2C)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2ccccc2)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2ccccc2)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nncn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nnnn32)c1-c1ccc(Cl)cc1.

What is the InChIKey of 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is MIRRFPHYFNFIRW-OGPQHVOHSA-N. The full InChI is InChI=1S/C35H34N2O4.C30H30ClNO3.C24H24ClN3O2.C24H26ClNO3.C23H23ClN4O2/c1-21-19-27-25(12-14-29(39)37(27)20-23-9-7-6-8-10-23)32(30(21)34(22(2)38)41-35(3,4)5)26-11-13-28-31-24(16-18-40-28)15-17-36-33(26)31;1-19-17-25-24(15-16-26(34)32(25)18-21-9-7-6-8-10-21)28(22-11-13-23(31)14-12-22)27(19)29(20(2)33)35-30(3,4)5;1-14-12-19-18(10-11-20-27-26-13-28(19)20)22(16-6-8-17(25)9-7-16)21(14)23(15(2)29)30-24(3,4)5;1-14-13-19-18(11-12-20(28)26(19)6)22(16-7-9-17(25)10-8-16)21(14)23(15(2)27)29-24(3,4)5;1-13-12-18-17(10-11-19-25-26-27-28(18)19)21(15-6-8-16(24)9-7-15)20(13)22(14(2)29)30-23(3,4)5/h6-15,17,19,34H,16,18,20H2,1-5H3;6-17,29H,18H2,1-5H3;6-13,23H,1-5H3;7-13,23H,1-6H3;6-12,22H,1-5H3/t34-;29-;2*23-;22-/m11111/s1.

What are the key properties of 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2291.47 g/mol, XLogP of 31.00, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;1-benzyl-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 159578359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).