potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide

C86H72Cl6F12IKN14O3 — CID 158076118

About potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide

potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide (PubChem CID 158076118) has the molecular formula C86H72Cl6F12IKN14O3 and a molecular weight of 1956.31 g/mol. Its IUPAC name is potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide.

Molecular Properties

• Compound Name: potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide
• PubChem CID: 158076118
• Molecular Formula: C86H72Cl6F12IKN14O3
• Molecular Weight: 1956.31 g/mol
• Exact Mass: 1952.25
• IUPAC Name: potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide
• SMILES: C.CCC1(C(F)(F)F)c2cc(Cl)ccc2Nc2ncccc21.CCCCC1(C(F)(F)F)c2cc(Cl)ccc2Nc2ncccc21.CCOC1(C(F)(F)F)c2cc(Cl)ccc2Nc2ncccc21.Cc1ncc2c(=O)c3cc(Cl)ccc3n(C)c2n1.Cn1c2ccc(Cl)cc2c(=O)c2cncnc21.FC(F)(F)c1c2cc(Cl)ccc2nc2ncccc12.I.[H-].[H][H].[K+]
• InChI: InChI=1S/C17H16ClF3N2.C15H12ClF3N2O.C15H12ClF3N2.C13H6ClF3N2.C13H10ClN3O.C12H8ClN3O.CH4.HI.K.H2.H/c1-2-3-8-16(17(19,20)21)12-5-4-9-22-15(12)23-14-7-6-11(18)10-13(14)16;1-2-22-14(15(17,18)19)10-4-3-7-20-13(10)21-12-6-5-9(16)8-11(12)14;1-2-14(15(17,18)19)10-4-3-7-20-13(10)21-12-6-5-9(16)8-11(12)14;14-7-3-4-10-9(6-7)11(13(15,16)17)8-2-1-5-18-12(8)19-10;1-7-15-6-10-12(18)9-5-8(14)3-4-11(9)17(2)13(10)16-7;1-16-10-3-2-7(13)4-8(10)11(17)9-5-14-6-15-12(9)16;;;;;/h4-7,9-10H,2-3,8H2,1H3,(H,22,23);3-8H,2H2,1H3,(H,20,21);3-8H,2H2,1H3,(H,20,21);1-6H;3-6H,1-2H3;2-6H,1H3;1H4;1H;;1H;/q;;;;;;;;+1;;-1
• InChIKey: BTQKDNUMBQDRDR-UHFFFAOYSA-N
• XLogP: 23.17
• TPSA: 205.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1956.31
LogP ≤ 5	23.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide?

The IUPAC name of potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide (CID 158076118) is potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide.

What is the SMILES notation for potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide?

The canonical SMILES for potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide is C.CCC1(C(F)(F)F)c2cc(Cl)ccc2Nc2ncccc21.CCCCC1(C(F)(F)F)c2cc(Cl)ccc2Nc2ncccc21.CCOC1(C(F)(F)F)c2cc(Cl)ccc2Nc2ncccc21.Cc1ncc2c(=O)c3cc(Cl)ccc3n(C)c2n1.Cn1c2ccc(Cl)cc2c(=O)c2cncnc21.FC(F)(F)c1c2cc(Cl)ccc2nc2ncccc12.I.[H-].[H][H].[K+].

What is the InChIKey of potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide?

The InChIKey is BTQKDNUMBQDRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2.C15H12ClF3N2O.C15H12ClF3N2.C13H6ClF3N2.C13H10ClN3O.C12H8ClN3O.CH4.HI.K.H2.H/c1-2-3-8-16(17(19,20)21)12-5-4-9-22-15(12)23-14-7-6-11(18)10-13(14)16;1-2-22-14(15(17,18)19)10-4-3-7-20-13(10)21-12-6-5-9(16)8-11(12)14;1-2-14(15(17,18)19)10-4-3-7-20-13(10)21-12-6-5-9(16)8-11(12)14;14-7-3-4-10-9(6-7)11(13(15,16)17)8-2-1-5-18-12(8)19-10;1-7-15-6-10-12(18)9-5-8(14)3-4-11(9)17(2)13(10)16-7;1-16-10-3-2-7(13)4-8(10)11(17)9-5-14-6-15-12(9)16;;;;;/h4-7,9-10H,2-3,8H2,1H3,(H,22,23);3-8H,2H2,1H3,(H,20,21);3-8H,2H2,1H3,(H,20,21);1-6H;3-6H,1-2H3;2-6H,1H3;1H4;1H;;1H;/q;;;;;;;;+1;;-1.

What are the key properties of potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide?

potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide has a molecular weight of 1956.31 g/mol, XLogP of 23.17, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-butyl-7-chloro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-2,10-dimethylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-ethoxy-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-5-ethyl-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridine;7-chloro-10-methylpyrimido[4,5-b]quinolin-5-one;7-chloro-5-(trifluoromethyl)benzo[b][1,8]naphthyridine;hydride;methane;molecular hydrogen;hydroiodide is sourced from PubChem (CID 158076118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).