6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol

C104H99Br4Cl3F5N23O2 — CID 167621642

About 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol

6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol (PubChem CID 167621642) has the molecular formula C104H99Br4Cl3F5N23O2 and a molecular weight of 2224.06 g/mol. Its IUPAC name is 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol
• PubChem CID: 167621642
• Molecular Formula: C104H99Br4Cl3F5N23O2
• Molecular Weight: 2224.06 g/mol
• Exact Mass: 2217.41
• IUPAC Name: 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol
• SMILES: Brc1cccc2c1CCCCN2.C#CC(C)(C)O.Cc1nnc2nc(N3CCCCc4c(Br)cccc43)c3c(F)cccc3n12.Cc1nnc2nc(N3CCCCc4c(C#CC(C)(C)O)cccc43)c3c(F)cccc3n12.Fc1cccc2nc(Cl)nc(Cl)c12.Fc1cccc2nc(Cl)nc(N3CCCCc4c(Br)cccc43)c12.NN.NNc1nc(N2CCCCc3c(Br)cccc32)c2c(F)cccc2n1
• InChI: InChI=1S/C25H24FN5O.C20H17BrFN5.C18H14BrClFN3.C18H17BrFN5.C10H12BrN.C8H3Cl2FN2.C5H8O.H4N2/c1-16-28-29-24-27-23(22-19(26)10-7-12-21(22)31(16)24)30-15-5-4-9-18-17(8-6-11-20(18)30)13-14-25(2,3)32;1-12-24-25-20-23-19(18-15(22)8-5-10-17(18)27(12)20)26-11-3-2-6-13-14(21)7-4-9-16(13)26;19-12-6-3-9-15-11(12)5-1-2-10-24(15)17-16-13(21)7-4-8-14(16)22-18(20)23-17;19-12-6-3-9-15-11(12)5-1-2-10-25(15)17-16-13(20)7-4-8-14(16)22-18(23-17)24-21;11-9-5-3-6-10-8(9)4-1-2-7-12-10;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;1-4-5(2,3)6;1-2/h6-8,10-12,32H,4-5,9,15H2,1-3H3;4-5,7-10H,2-3,6,11H2,1H3;3-4,6-9H,1-2,5,10H2;3-4,6-9H,1-2,5,10,21H2,(H,22,23,24);3,5-6,12H,1-2,4,7H2;1-3H;1,6H,2-3H3;1-2H2
• InChIKey: MNGAIRBNEUUHCX-UHFFFAOYSA-N
• XLogP: 24.72
• TPSA: 319.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 5
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2224.06
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol?

The IUPAC name of 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol (CID 167621642) is 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol.

What is the SMILES notation for 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol?

The canonical SMILES for 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol is Brc1cccc2c1CCCCN2.C#CC(C)(C)O.Cc1nnc2nc(N3CCCCc4c(Br)cccc43)c3c(F)cccc3n12.Cc1nnc2nc(N3CCCCc4c(C#CC(C)(C)O)cccc43)c3c(F)cccc3n12.Fc1cccc2nc(Cl)nc(Cl)c12.Fc1cccc2nc(Cl)nc(N3CCCCc4c(Br)cccc43)c12.NN.NNc1nc(N2CCCCc3c(Br)cccc32)c2c(F)cccc2n1.

What is the InChIKey of 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol?

The InChIKey is MNGAIRBNEUUHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O.C20H17BrFN5.C18H14BrClFN3.C18H17BrFN5.C10H12BrN.C8H3Cl2FN2.C5H8O.H4N2/c1-16-28-29-24-27-23(22-19(26)10-7-12-21(22)31(16)24)30-15-5-4-9-18-17(8-6-11-20(18)30)13-14-25(2,3)32;1-12-24-25-20-23-19(18-15(22)8-5-10-17(18)27(12)20)26-11-3-2-6-13-14(21)7-4-9-16(13)26;19-12-6-3-9-15-11(12)5-1-2-10-24(15)17-16-13(21)7-4-8-14(16)22-18(20)23-17;19-12-6-3-9-15-11(12)5-1-2-10-25(15)17-16-13(20)7-4-8-14(16)22-18(23-17)24-21;11-9-5-3-6-10-8(9)4-1-2-7-12-10;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;1-4-5(2,3)6;1-2/h6-8,10-12,32H,4-5,9,15H2,1-3H3;4-5,7-10H,2-3,6,11H2,1H3;3-4,6-9H,1-2,5,10H2;3-4,6-9H,1-2,5,10,21H2,(H,22,23,24);3,5-6,12H,1-2,4,7H2;1-3H;1,6H,2-3H3;1-2H2.

What are the key properties of 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol?

6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol has a molecular weight of 2224.06 g/mol, XLogP of 24.72, 5 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;6-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;5-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-5-fluoroquinazolin-2-yl]hydrazine;2,4-dichloro-5-fluoroquinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-2,3,4,5-tetrahydro-1-benzazepin-6-yl]-2-methylbut-3-yn-2-ol;hydrazine;2-methylbut-3-yn-2-ol is sourced from PubChem (CID 167621642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).