8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline

C64H55Br6F3N12 — CID 165021089

About 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline

8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline (PubChem CID 165021089) has the molecular formula C64H55Br6F3N12 and a molecular weight of 1528.65 g/mol. Its IUPAC name is 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline.

Molecular Properties

• Compound Name: 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
• PubChem CID: 165021089
• Molecular Formula: C64H55Br6F3N12
• Molecular Weight: 1528.65 g/mol
• Exact Mass: 1521.97
• IUPAC Name: 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
• SMILES: Cc1c(N)cccc1Br.Cc1ccnc2c(C)c(Br)ccc12.Cc1ccnc2c(CBr)c(Br)ccc12.Cc1ccnc2c(CN)c(Br)ccc12.Cc1ccnc2c(CN=[N+]=[N-])c(Br)ccc12.Cc1ccnc2c1ccc1nc(C(F)(F)F)ncc12
• InChI: InChI=1S/C13H8F3N3.C11H9Br2N.C11H9BrN4.C11H11BrN2.C11H10BrN.C7H8BrN/c1-7-4-5-17-11-8(7)2-3-10-9(11)6-18-12(19-10)13(14,15)16;1-7-4-5-14-11-8(7)2-3-10(13)9(11)6-12;1-7-4-5-14-11-8(7)2-3-10(12)9(11)6-15-16-13;1-7-4-5-14-11-8(7)2-3-10(12)9(11)6-13;1-7-5-6-13-11-8(2)10(12)4-3-9(7)11;1-5-6(8)3-2-4-7(5)9/h2-6H,1H3;2-5H,6H2,1H3;2-5H,6H2,1H3;2-5H,6,13H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3
• InChIKey: LEDPXMJOQPDPMZ-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 191.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1528.65
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

The IUPAC name of 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline (CID 165021089) is 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline.

What is the SMILES notation for 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

The canonical SMILES for 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline is Cc1c(N)cccc1Br.Cc1ccnc2c(C)c(Br)ccc12.Cc1ccnc2c(CBr)c(Br)ccc12.Cc1ccnc2c(CN)c(Br)ccc12.Cc1ccnc2c(CN=[N+]=[N-])c(Br)ccc12.Cc1ccnc2c1ccc1nc(C(F)(F)F)ncc12.

What is the InChIKey of 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

The InChIKey is LEDPXMJOQPDPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3.C11H9Br2N.C11H9BrN4.C11H11BrN2.C11H10BrN.C7H8BrN/c1-7-4-5-17-11-8(7)2-3-10-9(11)6-18-12(19-10)13(14,15)16;1-7-4-5-14-11-8(7)2-3-10(13)9(11)6-12;1-7-4-5-14-11-8(7)2-3-10(12)9(11)6-15-16-13;1-7-4-5-14-11-8(7)2-3-10(12)9(11)6-13;1-7-5-6-13-11-8(2)10(12)4-3-9(7)11;1-5-6(8)3-2-4-7(5)9/h2-6H,1H3;2-5H,6H2,1H3;2-5H,6H2,1H3;2-5H,6,13H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3.

What are the key properties of 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline has a molecular weight of 1528.65 g/mol, XLogP of 20.54, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline is sourced from PubChem (CID 165021089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).