7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium

C54H55ClF3N6O7+5 — CID 160734284

About 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium

7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium (PubChem CID 160734284) has the molecular formula C54H55ClF3N6O7+5 and a molecular weight of 992.52 g/mol. Its IUPAC name is 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium.

Molecular Properties

• Compound Name: 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium
• PubChem CID: 160734284
• Molecular Formula: C54H55ClF3N6O7+5
• Molecular Weight: 992.52 g/mol
• Exact Mass: 991.37
• IUPAC Name: 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium
• SMILES: COc1cc(C)[nH+]c2c(C(F)(F)F)cccc12.COc1cc[nH+]c2cc(Cl)ccc12.COc1cc[nH+]c2ccccc12.COc1ccc2c(OC)cc(N)[nH+]c2c1.COc1ccc2c(OC)cc[nH+]c2c1
• InChI: InChI=1S/C12H10F3NO.C11H12N2O2.C11H11NO2.C10H8ClNO.C10H9NO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-14-7-3-4-8-9(5-7)13-11(12)6-10(8)15-2;1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10;1-12-10-6-7-11-9-5-3-2-4-8(9)10/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2-6H,1H3;2-7H,1H3/p+5
• InChIKey: RUSZUERKIKMXQX-UHFFFAOYSA-S
• XLogP: 9.89
• TPSA: 161.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.52
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium?

The IUPAC name of 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium (CID 160734284) is 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium.

What is the SMILES notation for 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium?

The canonical SMILES for 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium is COc1cc(C)[nH+]c2c(C(F)(F)F)cccc12.COc1cc[nH+]c2cc(Cl)ccc12.COc1cc[nH+]c2ccccc12.COc1ccc2c(OC)cc(N)[nH+]c2c1.COc1ccc2c(OC)cc[nH+]c2c1.

What is the InChIKey of 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium?

The InChIKey is RUSZUERKIKMXQX-UHFFFAOYSA-S. The full InChI is InChI=1S/C12H10F3NO.C11H12N2O2.C11H11NO2.C10H8ClNO.C10H9NO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-14-7-3-4-8-9(5-7)13-11(12)6-10(8)15-2;1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10;1-12-10-6-7-11-9-5-3-2-4-8(9)10/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2-6H,1H3;2-7H,1H3/p+5.

What are the key properties of 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium?

7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium has a molecular weight of 992.52 g/mol, XLogP of 9.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium is sourced from PubChem (CID 160734284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).