(3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

C139H129N11O21S5 — CID 158976749

IUPAC(3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(Cc2ccccc2)C1.COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(c2ccccc2)C1.COc1cccnc1CC1CN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)C1.Cc1cc(C(=O)N2CC(Cc3ccccc3)C2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CC(O)(Cc3ccccc3)C2)ccc1CS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C28H27N3O4S.C28H26N2O5S.C28H26N2O4S.C28H26N2O3S.C27H24N2O5S/c1-19-14-22(28(32)31-16-20(17-31)15-24-25(35-2)8-5-12-29-24)10-11-23(19)18-36(33,34)26-9-3-6-21-7-4-13-30-27(21)26;1-35-24-15-21(17-36(33,34)25-11-5-9-22-10-6-14-29-26(22)25)12-13-23(24)27(31)30-18-28(32,19-30)16-20-7-3-2-4-8-20;1-20-15-23(27(31)30-18-28(32,19-30)16-21-7-3-2-4-8-21)12-13-24(20)17-35(33,34)25-11-5-9-22-10-6-14-29-26(22)25;1-20-15-24(28(31)30-17-22(18-30)16-21-7-3-2-4-8-21)12-13-25(20)19-34(32,33)26-11-5-9-23-10-6-14-29-27(23)26;1-34-23-15-19(16-35(32,33)24-11-5-7-20-8-6-14-28-25(20)24)12-13-22(23)26(30)29-17-27(31,18-29)21-9-3-2-4-10-21/h3-14,20H,15-18H2,1-2H3;2-15,32H,16-19H2,1H3;2-15,32H,16-19H2,1H3;2-15,22H,16-19H2,1H3;2-15,31H,16-18H2,1H3
InChIKeyJOMHYWQFGMBKPY-UHFFFAOYSA-N
MW2449.95 g/mol
LogP20.22
Rot. Bonds32

About (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

(3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 158976749) has the molecular formula C139H129N11O21S5 and a molecular weight of 2449.95 g/mol. Its IUPAC name is (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID158976749
Molecular FormulaC139H129N11O21S5
Molecular Weight2449.95 g/mol
Exact Mass2447.80
IUPAC Name(3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(Cc2ccccc2)C1.COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(c2ccccc2)C1.COc1cccnc1CC1CN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)C1.Cc1cc(C(=O)N2CC(Cc3ccccc3)C2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CC(O)(Cc3ccccc3)C2)ccc1CS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C28H27N3O4S.C28H26N2O5S.C28H26N2O4S.C28H26N2O3S.C27H24N2O5S/c1-19-14-22(28(32)31-16-20(17-31)15-24-25(35-2)8-5-12-29-24)10-11-23(19)18-36(33,34)26-9-3-6-21-7-4-13-30-27(21)26;1-35-24-15-21(17-36(33,34)25-11-5-9-22-10-6-14-29-26(22)25)12-13-23(24)27(31)30-18-28(32,19-30)16-20-7-3-2-4-8-20;1-20-15-23(27(31)30-18-28(32,19-30)16-21-7-3-2-4-8-21)12-13-24(20)17-35(33,34)25-11-5-9-22-10-6-14-29-26(22)25;1-20-15-24(28(31)30-17-22(18-30)16-21-7-3-2-4-8-21)12-13-25(20)19-34(32,33)26-11-5-9-23-10-6-14-29-27(23)26;1-34-23-15-19(16-35(32,33)24-11-5-7-20-8-6-14-28-25(20)24)12-13-22(23)26(30)29-17-27(31,18-29)21-9-3-2-4-10-21/h3-14,20H,15-18H2,1-2H3;2-15,32H,16-19H2,1H3;2-15,32H,16-19H2,1H3;2-15,22H,16-19H2,1H3;2-15,31H,16-18H2,1H3
InChIKeyJOMHYWQFGMBKPY-UHFFFAOYSA-N
XLogP20.22
TPSA437.97 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.95
LogP ≤ 520.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone with MolForge

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Related Compounds

[4-[(3-Fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 157339022
[4-(Cyclohexylmethyl)piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 158965906
[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(cyclopropylmethyl)piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 161828396
[4-[(3-Methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59635133
[3-[(3-Methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149492631
(3-Hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 153030738
[4-(cyclohexylmethyl)piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-quinolin-8-ylbenzenesulfonamide;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;2-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile;1-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 157092547
2-(4-Fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 157161025
[4-[(2-Chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(cyclohexylmethyl)piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 157864426
(3-benzylazetidin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(2-methoxyphenyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(2-methoxyphenyl)methyl]azetidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-(N-methylanilino)azetidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(3-phenoxyazetidin-1-yl)methanone
CID 157979363
[4-(Cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 158344931
(3-Benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158976750

Frequently Asked Questions

What is the IUPAC name of (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 158976749) is (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(Cc2ccccc2)C1.COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(c2ccccc2)C1.COc1cccnc1CC1CN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)C1.Cc1cc(C(=O)N2CC(Cc3ccccc3)C2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CC(O)(Cc3ccccc3)C2)ccc1CS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is JOMHYWQFGMBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4S.C28H26N2O5S.C28H26N2O4S.C28H26N2O3S.C27H24N2O5S/c1-19-14-22(28(32)31-16-20(17-31)15-24-25(35-2)8-5-12-29-24)10-11-23(19)18-36(33,34)26-9-3-6-21-7-4-13-30-27(21)26;1-35-24-15-21(17-36(33,34)25-11-5-9-22-10-6-14-29-26(22)25)12-13-23(24)27(31)30-18-28(32,19-30)16-20-7-3-2-4-8-20;1-20-15-23(27(31)30-18-28(32,19-30)16-21-7-3-2-4-8-21)12-13-24(20)17-35(33,34)25-11-5-9-22-10-6-14-29-26(22)25;1-20-15-24(28(31)30-17-22(18-30)16-21-7-3-2-4-8-21)12-13-25(20)19-34(32,33)26-11-5-9-23-10-6-14-29-27(23)26;1-34-23-15-19(16-35(32,33)24-11-5-7-20-8-6-14-28-25(20)24)12-13-22(23)26(30)29-17-27(31,18-29)21-9-3-2-4-10-21/h3-14,20H,15-18H2,1-2H3;2-15,32H,16-19H2,1H3;2-15,32H,16-19H2,1H3;2-15,22H,16-19H2,1H3;2-15,31H,16-18H2,1H3.
What are the key properties of (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
(3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 2449.95 g/mol, XLogP of 20.22, 32 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 158976749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).