1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium

C114H137F3N17S3+9 — CID 162031399

About 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium

1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium (PubChem CID 162031399) has the molecular formula C114H137F3N17S3+9 and a molecular weight of 1898.66 g/mol. Its IUPAC name is 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium.

Molecular Properties

• Compound Name: 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium
• PubChem CID: 162031399
• Molecular Formula: C114H137F3N17S3+9
• Molecular Weight: 1898.66 g/mol
• Exact Mass: 1897.03
• IUPAC Name: 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium
• SMILES: CCc1c2cc(C)ccc2nc[n+]1C.CCc1c2cc3cc(C)ccc3cc2cc[n+]1C.CCc1c2cc3ccc(C)cc3cc2cc[n+]1C.CCc1c2ccc(C)c(C(F)(F)F)c2nc[n+]1C.CCc1c2ccc(C)c(C)c2nc[n+]1C.CCc1c2ccc(C)cc2nc[n+]1C.CCc1c2sc(C)c(C)c2nc[n+]1C.CCc1c2sc(C)nc2nc[n+]1C.CCc1c2scc(C)c2nc[n+]1C
• InChI: InChI=1S/2C17H18N.C13H14F3N2.C13H17N2.2C12H15N2.C11H15N2S.C10H13N2S.C9H12N3S/c1-4-17-16-11-13-6-5-12(2)9-15(13)10-14(16)7-8-18(17)3;1-4-17-16-11-15-9-12(2)5-6-13(15)10-14(16)7-8-18(17)3;1-4-10-9-6-5-8(2)11(13(14,15)16)12(9)17-7-18(10)3;1-5-12-11-7-6-9(2)10(3)13(11)14-8-15(12)4;1-4-12-10-7-9(2)5-6-11(10)13-8-14(12)3;1-4-12-10-6-5-9(2)7-11(10)13-8-14(12)3;1-5-9-11-10(12-6-13(9)4)7(2)8(3)14-11;1-4-8-10-9(7(2)5-13-10)11-6-12(8)3;1-4-7-8-9(10-5-12(7)3)11-6(2)13-8/h2*5-11H,4H2,1-3H3;5-7H,4H2,1-3H3;6-8H,5H2,1-4H3;2*5-8H,4H2,1-3H3;6H,5H2,1-4H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3/q9*+1
• InChIKey: ISVZVGAAFCJCGF-UHFFFAOYSA-N
• XLogP: 22.10
• TPSA: 138.04 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.66
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium?

The IUPAC name of 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium (CID 162031399) is 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium.

What is the SMILES notation for 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium?

The canonical SMILES for 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium is CCc1c2cc(C)ccc2nc[n+]1C.CCc1c2cc3cc(C)ccc3cc2cc[n+]1C.CCc1c2cc3ccc(C)cc3cc2cc[n+]1C.CCc1c2ccc(C)c(C(F)(F)F)c2nc[n+]1C.CCc1c2ccc(C)c(C)c2nc[n+]1C.CCc1c2ccc(C)cc2nc[n+]1C.CCc1c2sc(C)c(C)c2nc[n+]1C.CCc1c2sc(C)nc2nc[n+]1C.CCc1c2scc(C)c2nc[n+]1C.

What is the InChIKey of 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium?

The InChIKey is ISVZVGAAFCJCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N.C13H14F3N2.C13H17N2.2C12H15N2.C11H15N2S.C10H13N2S.C9H12N3S/c1-4-17-16-11-13-6-5-12(2)9-15(13)10-14(16)7-8-18(17)3;1-4-17-16-11-15-9-12(2)5-6-13(15)10-14(16)7-8-18(17)3;1-4-10-9-6-5-8(2)11(13(14,15)16)12(9)17-7-18(10)3;1-5-12-11-7-6-9(2)10(3)13(11)14-8-15(12)4;1-4-12-10-7-9(2)5-6-11(10)13-8-14(12)3;1-4-12-10-6-5-9(2)7-11(10)13-8-14(12)3;1-5-9-11-10(12-6-13(9)4)7(2)8(3)14-11;1-4-8-10-9(7(2)5-13-10)11-6-12(8)3;1-4-7-8-9(10-5-12(7)3)11-6(2)13-8/h2*5-11H,4H2,1-3H3;5-7H,4H2,1-3H3;6-8H,5H2,1-4H3;2*5-8H,4H2,1-3H3;6H,5H2,1-4H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3/q9*+1.

What are the key properties of 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium?

1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium has a molecular weight of 1898.66 g/mol, XLogP of 22.10, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium is sourced from PubChem (CID 162031399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).