8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline

C116H138Br7F3N14O4 — CID 165066037

About 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline

8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline (PubChem CID 165066037) has the molecular formula C116H138Br7F3N14O4 and a molecular weight of 2408.80 g/mol. Its IUPAC name is 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline.

Molecular Properties

• Compound Name: 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
• PubChem CID: 165066037
• Molecular Formula: C116H138Br7F3N14O4
• Molecular Weight: 2408.80 g/mol
• Exact Mass: 2400.53
• IUPAC Name: 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
• SMILES: CC(C)(C)c1cc(Br)c(CBr)c2ncccc12.CC(C)(C)c1cc(Br)c(CN)c2ncccc12.CC(C)(C)c1cc(Br)c(CN=[N+]=[N-])c2ncccc12.CC(C)(C)c1cc2nc(C(F)(F)F)ncc2c2ncccc12.Cc1c(Br)cc(C(C)(C)C)c2cccnc12.Cc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-].Cc1c(N)cc(C(C)(C)C)cc1Br.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1[N+](=O)[O-]
• InChI: InChI=1S/C16H14F3N3.C14H15Br2N.C14H15BrN4.C14H17BrN2.C14H16BrN.C11H14BrNO2.C11H16BrN.C11H15NO2.C11H16/c1-15(2,3)11-7-12-10(13-9(11)5-4-6-20-13)8-21-14(22-12)16(17,18)19;1-14(2,3)11-7-12(16)10(8-15)13-9(11)5-4-6-17-13;1-14(2,3)11-7-12(15)10(8-18-19-16)13-9(11)5-4-6-17-13;1-14(2,3)11-7-12(15)10(8-16)13-9(11)5-4-6-17-13;1-9-12(15)8-11(14(2,3)4)10-6-5-7-16-13(9)10;1-7-9(12)5-8(11(2,3)4)6-10(7)13(14)15;1-7-9(12)5-8(6-10(7)13)11(2,3)4;1-8-5-6-9(11(2,3)4)7-10(8)12(13)14;1-9-5-7-10(8-6-9)11(2,3)4/h4-8H,1-3H3;4-7H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7H,8,16H2,1-3H3;5-8H,1-4H3;5-6H,1-4H3;5-6H,13H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3
• InChIKey: RZBXMLHIMWWMAN-UHFFFAOYSA-N
• XLogP: 37.24
• TPSA: 277.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.80
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

The IUPAC name of 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline (CID 165066037) is 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline.

What is the SMILES notation for 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

The canonical SMILES for 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline is CC(C)(C)c1cc(Br)c(CBr)c2ncccc12.CC(C)(C)c1cc(Br)c(CN)c2ncccc12.CC(C)(C)c1cc(Br)c(CN=[N+]=[N-])c2ncccc12.CC(C)(C)c1cc2nc(C(F)(F)F)ncc2c2ncccc12.Cc1c(Br)cc(C(C)(C)C)c2cccnc12.Cc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-].Cc1c(N)cc(C(C)(C)C)cc1Br.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1[N+](=O)[O-].

What is the InChIKey of 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

The InChIKey is RZBXMLHIMWWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3.C14H15Br2N.C14H15BrN4.C14H17BrN2.C14H16BrN.C11H14BrNO2.C11H16BrN.C11H15NO2.C11H16/c1-15(2,3)11-7-12-10(13-9(11)5-4-6-20-13)8-21-14(22-12)16(17,18)19;1-14(2,3)11-7-12(16)10(8-15)13-9(11)5-4-6-17-13;1-14(2,3)11-7-12(15)10(8-18-19-16)13-9(11)5-4-6-17-13;1-14(2,3)11-7-12(15)10(8-16)13-9(11)5-4-6-17-13;1-9-12(15)8-11(14(2,3)4)10-6-5-7-16-13(9)10;1-7-9(12)5-8(11(2,3)4)6-10(7)13(14)15;1-7-9(12)5-8(6-10(7)13)11(2,3)4;1-8-5-6-9(11(2,3)4)7-10(8)12(13)14;1-9-5-7-10(8-6-9)11(2,3)4/h4-8H,1-3H3;4-7H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7H,8,16H2,1-3H3;5-8H,1-4H3;5-6H,1-4H3;5-6H,13H2,1-4H3;5-7H,1-4H3;5-8H,1-4H3.

What are the key properties of 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?

8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline has a molecular weight of 2408.80 g/mol, XLogP of 37.24, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline is sourced from PubChem (CID 165066037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).