[(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium

C29H38ClF3N5O3U- — CID 167521739

About [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium

[(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium (PubChem CID 167521739) has the molecular formula C29H38ClF3N5O3U- and a molecular weight of 835.13 g/mol. Its IUPAC name is [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium.

Molecular Properties

• Compound Name: [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium
• PubChem CID: 167521739
• Molecular Formula: C29H38ClF3N5O3U-
• Molecular Weight: 835.13 g/mol
• Exact Mass: 834.31
• IUPAC Name: [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium
• SMILES: CC(C)(C)CC(=O)N1CC2C(C1)C2(C)C.CNC(=O)C(F)(F)F.C[N-]OC(C#N)c1cncc2cc(C)cc(Cl)c12.[U]
• InChI: InChI=1S/C13H11ClN3O.C13H23NO.C3H4F3NO.U/c1-8-3-9-6-17-7-10(12(5-15)18-16-2)13(9)11(14)4-8;1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;1-7-2(8)3(4,5)6;/h3-4,6-7,12H,1-2H3;9-10H,6-8H2,1-5H3;1H3,(H,7,8);/q-1
• InChIKey: QSIUBSUZVGUFEC-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 109.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.13
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium?

The IUPAC name of [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium (CID 167521739) is [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium.

What is the SMILES notation for [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium?

The canonical SMILES for [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium is CC(C)(C)CC(=O)N1CC2C(C1)C2(C)C.CNC(=O)C(F)(F)F.C[N-]OC(C#N)c1cncc2cc(C)cc(Cl)c12.[U].

What is the InChIKey of [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium?

The InChIKey is QSIUBSUZVGUFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN3O.C13H23NO.C3H4F3NO.U/c1-8-3-9-6-17-7-10(12(5-15)18-16-2)13(9)11(14)4-8;1-12(2,3)6-11(15)14-7-9-10(8-14)13(9,4)5;1-7-2(8)3(4,5)6;/h3-4,6-7,12H,1-2H3;9-10H,6-8H2,1-5H3;1H3,(H,7,8);/q-1;;;.

What are the key properties of [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium?

[(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium has a molecular weight of 835.13 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(5-chloro-7-methylisoquinolin-4-yl)-cyanomethoxy]-methylazanide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3,3-dimethylbutan-1-one;2,2,2-trifluoro-N-methylacetamide;uranium is sourced from PubChem (CID 167521739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).