(1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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

C147H154Cl3N11O15 — CID 161265146

IUPAC(1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnccc3C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ncccc3C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc(Cl)cc1Cl.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc2c3c1CCCN3CCO2.COC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc2c(c1Cl)NCCO2
InChIInChI=1S/2C34H33N3O3.C29H34N2O3.C26H29ClN2O4.C24H25Cl2NO2/c1-19-11-14-35-18-25(19)26-9-7-23-27(37-26)17-20(2)29(33(21(3)38)40-34(4,5)6)31(23)24-8-10-28-30-22(13-16-39-28)12-15-36-32(24)30;1-19-8-7-15-35-31(19)25-11-9-23-26(37-25)18-20(2)28(33(21(3)38)40-34(4,5)6)30(23)24-10-12-27-29-22(14-17-39-27)13-16-36-32(24)29;1-17-16-23-22(10-9-18(2)30-23)26(25(17)28(19(3)32)34-29(4,5)6)20-11-12-24-27-21(20)8-7-13-31(27)14-15-33-24;1-14-13-18-16(8-7-15(2)29-18)21(20(14)24(25(30)31-6)33-26(3,4)5)17-9-10-19-23(22(17)27)28-11-12-32-19;1-13-11-20-18(9-7-14(2)27-20)22(17-10-8-16(25)12-19(17)26)21(13)23(15(3)28)29-24(4,5)6/h7-12,14-15,17-18,33H,13,16H2,1-6H3;7-13,15-16,18,33H,14,17H2,1-6H3;9-12,16,28H,7-8,13-15H2,1-6H3;7-10,13,24,28H,11-12H2,1-6H3;7-12,23H,1-6H3/t2*33-;28-;24-;23-/m11101/s1
InChIKeyVDBSNSNGFRZBAA-JKCDBPGCSA-N
MW2421.27 g/mol
LogP34.40
Rot. Bonds22

About (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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 (PubChem CID 161265146) has the molecular formula C147H154Cl3N11O15 and a molecular weight of 2421.27 g/mol. Its IUPAC name is (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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.

Molecular Properties

Compound Name(1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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
PubChem CID161265146
Molecular FormulaC147H154Cl3N11O15
Molecular Weight2421.27 g/mol
Exact Mass2418.07
IUPAC Name(1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnccc3C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ncccc3C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc(Cl)cc1Cl.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc2c3c1CCCN3CCO2.COC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc2c(c1Cl)NCCO2
InChIInChI=1S/2C34H33N3O3.C29H34N2O3.C26H29ClN2O4.C24H25Cl2NO2/c1-19-11-14-35-18-25(19)26-9-7-23-27(37-26)17-20(2)29(33(21(3)38)40-34(4,5)6)31(23)24-8-10-28-30-22(13-16-39-28)12-15-36-32(24)30;1-19-8-7-15-35-31(19)25-11-9-23-26(37-25)18-20(2)28(33(21(3)38)40-34(4,5)6)30(23)24-10-12-27-29-22(14-17-39-27)13-16-36-32(24)29;1-17-16-23-22(10-9-18(2)30-23)26(25(17)28(19(3)32)34-29(4,5)6)20-11-12-24-27-21(20)8-7-13-31(27)14-15-33-24;1-14-13-18-16(8-7-15(2)29-18)21(20(14)24(25(30)31-6)33-26(3,4)5)17-9-10-19-23(22(17)27)28-11-12-32-19;1-13-11-20-18(9-7-14(2)27-20)22(17-10-8-16(25)12-19(17)26)21(13)23(15(3)28)29-24(4,5)6/h7-12,14-15,17-18,33H,13,16H2,1-6H3;7-13,15-16,18,33H,14,17H2,1-6H3;9-12,16,28H,7-8,13-15H2,1-6H3;7-10,13,24,28H,11-12H2,1-6H3;7-12,23H,1-6H3/t2*33-;28-;24-;23-/m11101/s1
InChIKeyVDBSNSNGFRZBAA-JKCDBPGCSA-N
XLogP34.40
TPSA308.93 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.27
LogP ≤ 534.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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?
The IUPAC name of (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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 (CID 161265146) is (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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.
What is the SMILES notation for (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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?
The canonical SMILES for (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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 is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3cnccc3C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ncccc3C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc(Cl)cc1Cl.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc2c3c1CCCN3CCO2.COC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc2c(c1Cl)NCCO2.
What is the InChIKey of (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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?
The InChIKey is VDBSNSNGFRZBAA-JKCDBPGCSA-N. The full InChI is InChI=1S/2C34H33N3O3.C29H34N2O3.C26H29ClN2O4.C24H25Cl2NO2/c1-19-11-14-35-18-25(19)26-9-7-23-27(37-26)17-20(2)29(33(21(3)38)40-34(4,5)6)31(23)24-8-10-28-30-22(13-16-39-28)12-15-36-32(24)30;1-19-8-7-15-35-31(19)25-11-9-23-26(37-25)18-20(2)28(33(21(3)38)40-34(4,5)6)30(23)24-10-12-27-29-22(14-17-39-27)13-16-36-32(24)29;1-17-16-23-22(10-9-18(2)30-23)26(25(17)28(19(3)32)34-29(4,5)6)20-11-12-24-27-21(20)8-7-13-31(27)14-15-33-24;1-14-13-18-16(8-7-15(2)29-18)21(20(14)24(25(30)31-6)33-26(3,4)5)17-9-10-19-23(22(17)27)28-11-12-32-19;1-13-11-20-18(9-7-14(2)27-20)22(17-10-8-16(25)12-19(17)26)21(13)23(15(3)28)29-24(4,5)6/h7-12,14-15,17-18,33H,13,16H2,1-6H3;7-13,15-16,18,33H,14,17H2,1-6H3;9-12,16,28H,7-8,13-15H2,1-6H3;7-10,13,24,28H,11-12H2,1-6H3;7-12,23H,1-6H3/t2*33-;28-;24-;23-/m11101/s1.
What are the key properties of (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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 has a molecular weight of 2421.27 g/mol, XLogP of 34.40, 22 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2,4-dichlorophenyl)-2,7-dimethylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2,7-dimethyl-5-(4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-8-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;methyl (2S)-2-[5-(5-chloro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;(1S)-1-[7-methyl-2-(3-methyl-2-pyridinyl)-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-[7-methyl-2-(4-methyl-3-pyridinyl)-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 is sourced from PubChem (CID 161265146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).