About N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone
N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 159658230) has the molecular formula C206H201F5N28O29S7
and a molecular weight of 3852.50 g/mol. Its IUPAC name is N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone (CID 159658230) is N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone is CC(C)(C(=O)N1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1)c1ccc(F)cn1.COc1ccc(OC)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.Cc1cc(C)c(CN2CCCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1C.O=C(Cc1ccccc1F)N1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(C(=O)c2c(F)cccc2F)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(C(=O)c2cccc(CO)c2F)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is MSLJGXNHIFVPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3S.C31H33N3O5S.C30H30FN5O4S.C29H27FN4O5S.C29H27FN4O4S.C28H24F2N4O4S.C27H25N5O4S/c1-23-19-25(3)29(20-24(23)2)21-34-15-6-16-35(18-17-34)32(36)28-12-10-26(11-13-28)22-39(37,38)30-9-4-7-27-8-5-14-33-31(27)30;1-38-27-13-14-28(39-2)26(20-27)21-33-16-5-17-34(19-18-33)31(35)25-11-9-23(10-12-25)22-40(36,37)29-8-3-6-24-7-4-15-32-30(24)29;1-30(2,26-14-11-23(31)20-33-26)29(38)36-17-5-16-35(18-19-36)28(37)22-9-12-24(13-10-22)34-41(39,40)25-8-3-6-21-7-4-15-32-27(21)25;30-26-22(19-35)6-1-8-24(26)29(37)34-16-4-15-33(17-18-34)28(36)21-10-12-23(13-11-21)32-40(38,39)25-9-2-5-20-7-3-14-31-27(20)25;30-25-9-2-1-6-23(25)20-27(35)33-16-5-17-34(19-18-33)29(36)22-11-13-24(14-12-22)32-39(37,38)26-10-3-7-21-8-4-15-31-28(21)26;29-22-7-2-8-23(30)25(22)28(36)34-16-4-15-33(17-18-34)27(35)20-10-12-21(13-11-20)32-39(37,38)24-9-1-5-19-6-3-14-31-26(19)24;33-26(31-16-5-17-32(19-18-31)27(34)23-8-1-2-14-28-23)21-10-12-22(13-11-21)30-37(35,36)24-9-3-6-20-7-4-15-29-25(20)24/h4-5,7-14,19-20H,6,15-18,21-22H2,1-3H3;3-4,6-15,20H,5,16-19,21-22H2,1-2H3;3-4,6-15,20,34H,5,16-19H2,1-2H3;1-3,5-14,32,35H,4,15-19H2;1-4,6-15,32H,5,16-20H2;1-3,5-14,32H,4,15-18H2;1-4,6-15,30H,5,16-19H2.
What are the key properties of N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 3852.50 g/mol, XLogP of 29.75, 42 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,6-difluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[(2,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(5-fluoro-2-pyridinyl)-2-methylpropanoyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 159658230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).