[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

C65H50Br2F9N15 — CID 167565632

About [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline

[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 167565632) has the molecular formula C65H50Br2F9N15 and a molecular weight of 1372.01 g/mol. Its IUPAC name is [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

• Compound Name: [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
• PubChem CID: 167565632
• Molecular Formula: C65H50Br2F9N15
• Molecular Weight: 1372.01 g/mol
• Exact Mass: 1369.26
• IUPAC Name: [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
• SMILES: C#CC1(C(F)(F)F)CC1.Fc1ccc2c(c1)c(N1CCCc3c(Br)cccc31)nc1nncn12.Fc1ccc2c(c1)c(N1CCCc3c(C#CC4(C(F)(F)F)CC4)cccc31)nc1nncn12.NNc1nc(N2CCCc3c(Br)cccc32)c2cc(F)ccc2n1
• InChI: InChI=1S/C24H17F4N5.C18H13BrFN5.C17H15BrFN5.C6H5F3/c25-16-6-7-20-18(13-16)21(30-22-31-29-14-33(20)22)32-12-2-4-17-15(3-1-5-19(17)32)8-9-23(10-11-23)24(26,27)28;19-14-4-1-5-15-12(14)3-2-8-24(15)17-13-9-11(20)6-7-16(13)25-10-21-23-18(25)22-17;18-13-4-1-5-15-11(13)3-2-8-24(15)16-12-9-10(19)6-7-14(12)21-17(22-16)23-20;1-2-5(3-4-5)6(7,8)9/h1,3,5-7,13-14H,2,4,10-12H2;1,4-7,9-10H,2-3,8H2;1,4-7,9H,2-3,8,20H2,(H,21,22,23);1H,3-4H2
• InChIKey: FFYWVFFOUMOJEZ-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 159.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1372.01
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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 [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?

The IUPAC name of [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (CID 167565632) is [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline.

What is the SMILES notation for [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?

The canonical SMILES for [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is C#CC1(C(F)(F)F)CC1.Fc1ccc2c(c1)c(N1CCCc3c(Br)cccc31)nc1nncn12.Fc1ccc2c(c1)c(N1CCCc3c(C#CC4(C(F)(F)F)CC4)cccc31)nc1nncn12.NNc1nc(N2CCCc3c(Br)cccc32)c2cc(F)ccc2n1.

What is the InChIKey of [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?

The InChIKey is FFYWVFFOUMOJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5.C18H13BrFN5.C17H15BrFN5.C6H5F3/c25-16-6-7-20-18(13-16)21(30-22-31-29-14-33(20)22)32-12-2-4-17-15(3-1-5-19(17)32)8-9-23(10-11-23)24(26,27)28;19-14-4-1-5-15-12(14)3-2-8-24(15)17-13-9-11(20)6-7-16(13)25-10-21-23-18(25)22-17;18-13-4-1-5-15-11(13)3-2-8-24(15)16-12-9-10(19)6-7-14(12)21-17(22-16)23-20;1-2-5(3-4-5)6(7,8)9/h1,3,5-7,13-14H,2,4,10-12H2;1,4-7,9-10H,2-3,8H2;1,4-7,9H,2-3,8,20H2,(H,21,22,23);1H,3-4H2.

What are the key properties of [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline?

[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 1372.01 g/mol, XLogP of 15.32, 4 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 167565632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).