6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline

C85H61Br5ClF12N15O6 — CID 159626219

About 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline

6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline (PubChem CID 159626219) has the molecular formula C85H61Br5ClF12N15O6 and a molecular weight of 2051.47 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline.

Molecular Properties

• Compound Name: 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline
• PubChem CID: 159626219
• Molecular Formula: C85H61Br5ClF12N15O6
• Molecular Weight: 2051.47 g/mol
• Exact Mass: 2045.03
• IUPAC Name: 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline
• SMILES: C.C.Cc1cccc(N)c1.Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(Br)ccc3ncc21.Nc1cnc2ccc(Br)cc2c1Nc1cccc(C(F)(F)F)c1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Nc1cccc(C(F)(F)F)c1.O=c1[nH]c2cnc3ccc(Br)cc3c2n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C18H11BrF3N3O.C17H9BrF3N3O.C16H9BrF3N3O2.C16H11BrF3N3.C9H4BrClN2O2.C7H9N.2CH4/c1-24-15-9-23-14-6-5-11(19)8-13(14)16(15)25(17(24)26)12-4-2-3-10(7-12)18(20,21)22;18-10-4-5-13-12(7-10)15-14(8-22-13)23-16(25)24(15)11-3-1-2-9(6-11)17(19,20)21;17-10-4-5-13-12(7-10)15(14(8-21-13)23(24)25)22-11-3-1-2-9(6-11)16(18,19)20;17-10-4-5-14-12(7-10)15(13(21)8-22-14)23-11-3-1-2-9(6-11)16(18,19)20;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-6-3-2-4-7(8)5-6;;/h2-9H,1H3;1-8H,(H,23,25);1-8H,(H,21,22);1-8H,21H2,(H,22,23);1-4H;2-5H,8H2,1H3;2*1H4
• InChIKey: MONHZBWVANDXTQ-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 291.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2051.47
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline?

The IUPAC name of 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline (CID 159626219) is 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline.

What is the SMILES notation for 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline?

The canonical SMILES for 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline is C.C.Cc1cccc(N)c1.Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(Br)ccc3ncc21.Nc1cnc2ccc(Br)cc2c1Nc1cccc(C(F)(F)F)c1.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl.O=[N+]([O-])c1cnc2ccc(Br)cc2c1Nc1cccc(C(F)(F)F)c1.O=c1[nH]c2cnc3ccc(Br)cc3c2n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline?

The InChIKey is MONHZBWVANDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrF3N3O.C17H9BrF3N3O.C16H9BrF3N3O2.C16H11BrF3N3.C9H4BrClN2O2.C7H9N.2CH4/c1-24-15-9-23-14-6-5-11(19)8-13(14)16(15)25(17(24)26)12-4-2-3-10(7-12)18(20,21)22;18-10-4-5-13-12(7-10)15-14(8-22-13)23-16(25)24(15)11-3-1-2-9(6-11)17(19,20)21;17-10-4-5-13-12(7-10)15(14(8-21-13)23(24)25)22-11-3-1-2-9(6-11)16(18,19)20;17-10-4-5-14-12(7-10)15(13(21)8-22-14)23-11-3-1-2-9(6-11)16(18,19)20;10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15;1-6-3-2-4-7(8)5-6;;/h2-9H,1H3;1-8H,(H,23,25);1-8H,(H,21,22);1-8H,21H2,(H,22,23);1-4H;2-5H,8H2,1H3;2*1H4.

What are the key properties of 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline?

6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline has a molecular weight of 2051.47 g/mol, XLogP of 26.73, 8 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chloro-3-nitroquinoline;8-bromo-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one;6-bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine;8-bromo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-[3-(trifluoromethyl)phenyl]quinoline-3,4-diamine;methane;3-methylaniline is sourced from PubChem (CID 159626219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).