1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C131H135Cl5N8O14 — CID 159325519

IUPAC1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=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(ccc3nnnn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(OCc3ccccc3)ccc2c1-c1ccc(Cl)cc1.COc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1
InChIInChI=1S/2C30H30ClNO3.2C24H26ClNO3.C23H23ClN4O2/c1-19-17-25-24(15-16-26(32-25)34-18-21-9-7-6-8-10-21)28(22-11-13-23(31)14-12-22)27(19)29(20(2)33)35-30(3,4)5;1-19-17-25-24(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;1-14-13-19-18(11-12-20(26-19)28-6)22(16-7-9-17(25)10-8-16)21(14)23(15(2)27)29-24(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/h2*6-17,29H,18H2,1-5H3;2*7-13,23H,1-6H3;6-12,22H,1-5H3/t2*29-;2*23-;22-/m11111/s1
InChIKeyLEHUHRGYYZVURJ-TUEWJQTMSA-N
MW2222.83 g/mol
LogP32.29
Rot. Bonds26

About 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 159325519) has the molecular formula C131H135Cl5N8O14 and a molecular weight of 2222.83 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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID159325519
Molecular FormulaC131H135Cl5N8O14
Molecular Weight2222.83 g/mol
Exact Mass2218.85
IUPAC Name1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=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(ccc3nnnn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(OCc3ccccc3)ccc2c1-c1ccc(Cl)cc1.COc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1
InChIInChI=1S/2C30H30ClNO3.2C24H26ClNO3.C23H23ClN4O2/c1-19-17-25-24(15-16-26(32-25)34-18-21-9-7-6-8-10-21)28(22-11-13-23(31)14-12-22)27(19)29(20(2)33)35-30(3,4)5;1-19-17-25-24(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;1-14-13-19-18(11-12-20(26-19)28-6)22(16-7-9-17(25)10-8-16)21(14)23(15(2)27)29-24(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/h2*6-17,29H,18H2,1-5H3;2*7-13,23H,1-6H3;6-12,22H,1-5H3/t2*29-;2*23-;22-/m11111/s1
InChIKeyLEHUHRGYYZVURJ-TUEWJQTMSA-N
XLogP32.29
TPSA262.82 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms158
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.83
LogP ≤ 532.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one with MolForge

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Related Compounds

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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 159325519) is 1-benzyl-5-(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-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(ccc3nnnn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(OCc3ccccc3)ccc2c1-c1ccc(Cl)cc1.COc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.
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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is LEHUHRGYYZVURJ-TUEWJQTMSA-N. The full InChI is InChI=1S/2C30H30ClNO3.2C24H26ClNO3.C23H23ClN4O2/c1-19-17-25-24(15-16-26(32-25)34-18-21-9-7-6-8-10-21)28(22-11-13-23(31)14-12-22)27(19)29(20(2)33)35-30(3,4)5;1-19-17-25-24(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;1-14-13-19-18(11-12-20(26-19)28-6)22(16-7-9-17(25)10-8-16)21(14)23(15(2)27)29-24(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/h2*6-17,29H,18H2,1-5H3;2*7-13,23H,1-6H3;6-12,22H,1-5H3/t2*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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2222.83 g/mol, XLogP of 32.29, 26 rotatable bonds, 0 hydrogen bond donors, and 22 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;5-(4-chlorophenyl)-1,7-dimethyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[5-(4-chlorophenyl)-2-methoxy-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 159325519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).