N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C136H145F3N20O17S5 — CID 157401661

About N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 157401661) has the molecular formula C136H145F3N20O17S5 and a molecular weight of 2549.11 g/mol. Its IUPAC name is N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• PubChem CID: 157401661
• Molecular Formula: C136H145F3N20O17S5
• Molecular Weight: 2549.11 g/mol
• Exact Mass: 2546.97
• IUPAC Name: N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
• SMILES: CC1CN(Cc2cc(F)c(F)cc2F)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(CC2CCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C[C@@H]2CCCO2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C[C@H]2CCCO2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1C2CCC1CN(Cc1ccccc1)C2
• InChI: InChI=1S/C29H27F3N4O3S.C29H28N4O3S.2C26H30N4O4S.C26H30N4O3S/c1-18-15-35(17-22-13-25(31)26(32)14-24(22)30)16-19(2)36(18)29(37)21-8-10-23(11-9-21)34-40(38,39)27-7-3-5-20-6-4-12-33-28(20)27;34-29(33-25-15-16-26(33)20-32(19-25)18-21-6-2-1-3-7-21)23-11-13-24(14-12-23)31-37(35,36)27-10-4-8-22-9-5-17-30-28(22)27;2*1-19-17-29(18-23-7-4-16-34-23)14-15-30(19)26(31)21-9-11-22(12-10-21)28-35(32,33)24-8-2-5-20-6-3-13-27-25(20)24;1-19-17-29(18-20-5-2-6-20)15-16-30(19)26(31)22-10-12-23(13-11-22)28-34(32,33)24-9-3-7-21-8-4-14-27-25(21)24/h3-14,18-19,34H,15-17H2,1-2H3;1-14,17,25-26,31H,15-16,18-20H2;2*2-3,5-6,8-13,19,23,28H,4,7,14-18H2,1H3;3-4,7-14,19-20,28H,2,5-6,15-18H2,1H3/t;;19-,23+;19-,23-;19-/m..111/s1
• InChIKey: BNFWVERNWNJQTL-UTZDHZEDSA-N
• XLogP: 20.42
• TPSA: 431.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.11
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The IUPAC name of N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 157401661) is N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

What is the SMILES notation for N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The canonical SMILES for N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC1CN(Cc2cc(F)c(F)cc2F)CC(C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(CC2CCC2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C[C@@H]2CCCO2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.C[C@@H]1CN(C[C@H]2CCCO2)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1C2CCC1CN(Cc1ccccc1)C2.

What is the InChIKey of N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

The InChIKey is BNFWVERNWNJQTL-UTZDHZEDSA-N. The full InChI is InChI=1S/C29H27F3N4O3S.C29H28N4O3S.2C26H30N4O4S.C26H30N4O3S/c1-18-15-35(17-22-13-25(31)26(32)14-24(22)30)16-19(2)36(18)29(37)21-8-10-23(11-9-21)34-40(38,39)27-7-3-5-20-6-4-12-33-28(20)27;34-29(33-25-15-16-26(33)20-32(19-25)18-21-6-2-1-3-7-21)23-11-13-24(14-12-23)31-37(35,36)27-10-4-8-22-9-5-17-30-28(22)27;2*1-19-17-29(18-23-7-4-16-34-23)14-15-30(19)26(31)21-9-11-22(12-10-21)28-35(32,33)24-8-2-5-20-6-3-13-27-25(20)24;1-19-17-29(18-20-5-2-6-20)15-16-30(19)26(31)22-10-12-23(13-11-22)28-34(32,33)24-9-3-7-21-8-4-14-27-25(21)24/h3-14,18-19,34H,15-17H2,1-2H3;1-14,17,25-26,31H,15-16,18-20H2;2*2-3,5-6,8-13,19,23,28H,4,7,14-18H2,1H3;3-4,7-14,19-20,28H,2,5-6,15-18H2,1H3/t;;19-,23+;19-,23-;19-/m..111/s1.

What are the key properties of N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?

N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 2549.11 g/mol, XLogP of 20.42, 30 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-(cyclobutylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(2,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 157401661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).