[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

C202H200F4N24O24S7 — CID 161360701

IUPAC[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.Cc1cc(C(=O)N2CCN(Cc3ccncc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cccc(C)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2c(F)cccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(OCCO)c2)CC1
InChIInChI=1S/C30H31N3O5S.C30H31N3O3S.C29H30N4O4S.C29H29N3O3S.C28H25F2N3O3S.2C28H27FN4O3S/c34-18-19-38-27-7-1-4-24(20-27)21-32-14-16-33(17-15-32)30(35)26-11-9-23(10-12-26)22-39(36,37)28-8-2-5-25-6-3-13-31-29(25)28;1-22-6-3-7-23(2)27(22)20-32-16-18-33(19-17-32)30(34)26-13-11-24(12-14-26)21-37(35,36)28-10-4-8-25-9-5-15-31-29(25)28;1-21-17-23(29(34)33-15-13-32(14-16-33)19-25-18-30-12-10-26(25)37-2)8-9-24(21)20-38(35,36)27-7-3-5-22-6-4-11-31-28(22)27;1-22-6-2-3-7-26(22)20-31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-8-24-9-5-15-30-28(24)27;29-24-6-2-7-25(30)23(24)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)26-8-1-4-21-5-3-13-31-27(21)26;1-20-16-22(28(34)33-14-12-32(13-15-33)18-23-9-11-30-17-25(23)29)7-8-24(20)19-37(35,36)26-6-2-4-21-5-3-10-31-27(21)26;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26/h1-13,20,34H,14-19,21-22H2;3-15H,16-21H2,1-2H3;3-12,17-18H,13-16,19-20H2,1-2H3;2-15H,16-21H2,1H3;1-13H,14-19H2;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3
InChIKeyVPDBSASLVVLXHR-UHFFFAOYSA-N
MW3648.43 g/mol
LogP29.14
Rot. Bonds46

About [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 161360701) has the molecular formula C202H200F4N24O24S7 and a molecular weight of 3648.43 g/mol. Its IUPAC name is [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID161360701
Molecular FormulaC202H200F4N24O24S7
Molecular Weight3648.43 g/mol
Exact Mass3645.31
IUPAC Name[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.Cc1cc(C(=O)N2CCN(Cc3ccncc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cccc(C)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2c(F)cccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(OCCO)c2)CC1
InChIInChI=1S/C30H31N3O5S.C30H31N3O3S.C29H30N4O4S.C29H29N3O3S.C28H25F2N3O3S.2C28H27FN4O3S/c34-18-19-38-27-7-1-4-24(20-27)21-32-14-16-33(17-15-32)30(35)26-11-9-23(10-12-26)22-39(36,37)28-8-2-5-25-6-3-13-31-29(25)28;1-22-6-3-7-23(2)27(22)20-32-16-18-33(19-17-32)30(34)26-13-11-24(12-14-26)21-37(35,36)28-10-4-8-25-9-5-15-31-29(25)28;1-21-17-23(29(34)33-15-13-32(14-16-33)19-25-18-30-12-10-26(25)37-2)8-9-24(21)20-38(35,36)27-7-3-5-22-6-4-11-31-28(22)27;1-22-6-2-3-7-26(22)20-31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-8-24-9-5-15-30-28(24)27;29-24-6-2-7-25(30)23(24)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)26-8-1-4-21-5-3-13-31-27(21)26;1-20-16-22(28(34)33-14-12-32(13-15-33)18-23-9-11-30-17-25(23)29)7-8-24(20)19-37(35,36)26-6-2-4-21-5-3-10-31-27(21)26;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26/h1-13,20,34H,14-19,21-22H2;3-15H,16-21H2,1-2H3;3-12,17-18H,13-16,19-20H2,1-2H3;2-15H,16-21H2,1H3;1-13H,14-19H2;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3
InChIKeyVPDBSASLVVLXHR-UHFFFAOYSA-N
XLogP29.14
TPSA571.42 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds46
Heavy Atoms261
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003648.43
LogP ≤ 529.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 161360701) is [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is COc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.Cc1cc(C(=O)N2CCN(Cc3ccncc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cccc(C)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2c(F)cccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(OCCO)c2)CC1.
What is the InChIKey of [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is VPDBSASLVVLXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5S.C30H31N3O3S.C29H30N4O4S.C29H29N3O3S.C28H25F2N3O3S.2C28H27FN4O3S/c34-18-19-38-27-7-1-4-24(20-27)21-32-14-16-33(17-15-32)30(35)26-11-9-23(10-12-26)22-39(36,37)28-8-2-5-25-6-3-13-31-29(25)28;1-22-6-3-7-23(2)27(22)20-32-16-18-33(19-17-32)30(34)26-13-11-24(12-14-26)21-37(35,36)28-10-4-8-25-9-5-15-31-29(25)28;1-21-17-23(29(34)33-15-13-32(14-16-33)19-25-18-30-12-10-26(25)37-2)8-9-24(21)20-38(35,36)27-7-3-5-22-6-4-11-31-28(22)27;1-22-6-2-3-7-26(22)20-31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-8-24-9-5-15-30-28(24)27;29-24-6-2-7-25(30)23(24)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)26-8-1-4-21-5-3-13-31-27(21)26;1-20-16-22(28(34)33-14-12-32(13-15-33)18-23-9-11-30-17-25(23)29)7-8-24(20)19-37(35,36)26-6-2-4-21-5-3-10-31-27(21)26;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26/h1-13,20,34H,14-19,21-22H2;3-15H,16-21H2,1-2H3;3-12,17-18H,13-16,19-20H2,1-2H3;2-15H,16-21H2,1H3;1-13H,14-19H2;2-11,16-17H,12-15,18-19H2,1H3;2-9,14-17H,10-13,18-19H2,1H3.
What are the key properties of [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 3648.43 g/mol, XLogP of 29.14, 46 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 161360701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).