8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline

C59H45Br6F3N12 — CID 164982040

About 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline

8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline (PubChem CID 164982040) has the molecular formula C59H45Br6F3N12 and a molecular weight of 1458.51 g/mol. Its IUPAC name is 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline.

Molecular Properties

• Compound Name: 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline
• PubChem CID: 164982040
• Molecular Formula: C59H45Br6F3N12
• Molecular Weight: 1458.51 g/mol
• Exact Mass: 1451.89
• IUPAC Name: 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline
• SMILES: BrCc1c(Br)ccc2cccnc12.Cc1c(Br)ccc2cccnc12.Cc1c(N)cccc1Br.FC(F)(F)c1ncc2c(ccc3cccnc32)n1.NCc1c(Br)ccc2cccnc12.[N-]=[N+]=NCc1c(Br)ccc2cccnc12
• InChI: InChI=1S/C12H6F3N3.C10H7Br2N.C10H7BrN4.C10H9BrN2.C10H8BrN.C7H8BrN/c13-12(14,15)11-17-6-8-9(18-11)4-3-7-2-1-5-16-10(7)8;11-6-8-9(12)4-3-7-2-1-5-13-10(7)8;11-9-4-3-7-2-1-5-13-10(7)8(9)6-14-15-12;11-9-4-3-7-2-1-5-13-10(7)8(9)6-12;1-7-9(11)5-4-8-3-2-6-12-10(7)8;1-5-6(8)3-2-4-7(5)9/h1-6H;1-5H,6H2;1-5H,6H2;1-5H,6,12H2;2-6H,1H3;2-4H,9H2,1H3
• InChIKey: FQBKNTYSPOVXTE-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 191.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1458.51
LogP ≤ 5	19.00
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-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

The IUPAC name of 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline (CID 164982040) is 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline.

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

The canonical SMILES for 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline is BrCc1c(Br)ccc2cccnc12.Cc1c(Br)ccc2cccnc12.Cc1c(N)cccc1Br.FC(F)(F)c1ncc2c(ccc3cccnc32)n1.NCc1c(Br)ccc2cccnc12.[N-]=[N+]=NCc1c(Br)ccc2cccnc12.

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

The InChIKey is FQBKNTYSPOVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3.C10H7Br2N.C10H7BrN4.C10H9BrN2.C10H8BrN.C7H8BrN/c13-12(14,15)11-17-6-8-9(18-11)4-3-7-2-1-5-16-10(7)8;11-6-8-9(12)4-3-7-2-1-5-13-10(7)8;11-9-4-3-7-2-1-5-13-10(7)8(9)6-14-15-12;11-9-4-3-7-2-1-5-13-10(7)8(9)6-12;1-7-9(11)5-4-8-3-2-6-12-10(7)8;1-5-6(8)3-2-4-7(5)9/h1-6H;1-5H,6H2;1-5H,6H2;1-5H,6,12H2;2-6H,1H3;2-4H,9H2,1H3.

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

8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline has a molecular weight of 1458.51 g/mol, XLogP of 19.00, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline is sourced from PubChem (CID 164982040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).