magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide

C62H73BrCl2MgN12O11 — CID 160529076

About magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide

magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide (PubChem CID 160529076) has the molecular formula C62H73BrCl2MgN12O11 and a molecular weight of 1337.45 g/mol. Its IUPAC name is magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide.

Molecular Properties

• Compound Name: magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide
• PubChem CID: 160529076
• Molecular Formula: C62H73BrCl2MgN12O11
• Molecular Weight: 1337.45 g/mol
• Exact Mass: 1334.39
• IUPAC Name: magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide
• SMILES: C1CCOC1.CC(=O)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)OC(C)(C)C)nc3C)o2)cc2cc(Cl)cnc12.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C29H33ClN6O5.C28H29ClN6O5.C4H8O.CH3.BrH.Mg/c1-15-8-22(34-27(38)41-28(3,4)5)33-16(2)20(15)14-32-25(37)26-36-35-23(40-26)11-17-9-18-12-19(30)13-31-24(18)21(10-17)29(6,7)39;1-14-7-22(33-27(38)40-28(4,5)6)32-15(2)21(14)13-31-25(37)26-35-34-23(39-26)10-17-8-18-11-19(29)12-30-24(18)20(9-17)16(3)36;1-2-4-5-3-1;;;/h8-10,12-13,39H,11,14H2,1-7H3,(H,32,37)(H,33,34,38);7-9,11-12H,10,13H2,1-6H3,(H,31,37)(H,32,33,38);1-4H2;1H3;1H;/q;;;-1;;+2/p-1
• InChIKey: XQGZDPFKMPVYBN-UHFFFAOYSA-M
• XLogP: 8.60
• TPSA: 310.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.45
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide?

The IUPAC name of magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide (CID 160529076) is magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide.

What is the SMILES notation for magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide?

The canonical SMILES for magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide is C1CCOC1.CC(=O)c1cc(Cc2nnc(C(=O)NCc3c(C)cc(NC(=O)OC(C)(C)C)nc3C)o2)cc2cc(Cl)cnc12.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide?

The InChIKey is XQGZDPFKMPVYBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H33ClN6O5.C28H29ClN6O5.C4H8O.CH3.BrH.Mg/c1-15-8-22(34-27(38)41-28(3,4)5)33-16(2)20(15)14-32-25(37)26-36-35-23(40-26)11-17-9-18-12-19(30)13-31-24(18)21(10-17)29(6,7)39;1-14-7-22(33-27(38)40-28(4,5)6)32-15(2)21(14)13-31-25(37)26-35-34-23(39-26)10-17-8-18-11-19(29)12-30-24(18)20(9-17)16(3)36;1-2-4-5-3-1;;;/h8-10,12-13,39H,11,14H2,1-7H3,(H,32,37)(H,33,34,38);7-9,11-12H,10,13H2,1-6H3,(H,31,37)(H,32,33,38);1-4H2;1H3;1H;/q;;;-1;;+2/p-1.

What are the key properties of magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide?

magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide has a molecular weight of 1337.45 g/mol, XLogP of 8.60, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;tert-butyl N-[5-[[[5-[(8-acetyl-3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[5-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-1,3,4-oxadiazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;carbanide;oxolane;bromide is sourced from PubChem (CID 160529076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).