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

C71H52Br2F17N15O3 — CID 167649250

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

5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane (PubChem CID 167649250) has the molecular formula C71H52Br2F17N15O3 and a molecular weight of 1646.07 g/mol. Its IUPAC name is 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

• Compound Name: 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane
• PubChem CID: 167649250
• Molecular Formula: C71H52Br2F17N15O3
• Molecular Weight: 1646.07 g/mol
• Exact Mass: 1643.25
• IUPAC Name: 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane
• SMILES: C#CC1(C(F)(F)F)CC1.Fc1ccc2c(c1)c(N1CCCc3c(Br)cccc31)nc1nnc(C(F)F)n12.Fc1ccc2c(c1)c(N1CCCc3c(C#CC4(C(F)(F)F)CC4)cccc31)nc1nnc(C(F)F)n12.NNc1nc(N2CCCc3c(Br)cccc32)c2cc(F)ccc2n1.O=C(OC(=O)C(F)F)C(F)F
• InChI: InChI=1S/C25H17F6N5.C19H13BrF3N5.C17H15BrFN5.C6H5F3.C4H2F4O3/c26-15-6-7-19-17(13-15)21(32-23-34-33-22(20(27)28)36(19)23)35-12-2-4-16-14(3-1-5-18(16)35)8-9-24(10-11-24)25(29,30)31;20-13-4-1-5-14-11(13)3-2-8-27(14)17-12-9-10(21)6-7-15(12)28-18(16(22)23)25-26-19(28)24-17;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;5-1(6)3(9)11-4(10)2(7)8/h1,3,5-7,13,20H,2,4,10-12H2;1,4-7,9,16H,2-3,8H2;1,4-7,9H,2-3,8,20H2,(H,21,22,23);1H,3-4H2;1-2H
• InChIKey: QIIOQIINSQNKMN-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 203.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.07
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane?

The IUPAC name of 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane (CID 167649250) is 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane.

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

The canonical SMILES for 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane is C#CC1(C(F)(F)F)CC1.Fc1ccc2c(c1)c(N1CCCc3c(Br)cccc31)nc1nnc(C(F)F)n12.Fc1ccc2c(c1)c(N1CCCc3c(C#CC4(C(F)(F)F)CC4)cccc31)nc1nnc(C(F)F)n12.NNc1nc(N2CCCc3c(Br)cccc32)c2cc(F)ccc2n1.O=C(OC(=O)C(F)F)C(F)F.

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

The InChIKey is QIIOQIINSQNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F6N5.C19H13BrF3N5.C17H15BrFN5.C6H5F3.C4H2F4O3/c26-15-6-7-19-17(13-15)21(32-23-34-33-22(20(27)28)36(19)23)35-12-2-4-16-14(3-1-5-18(16)35)8-9-24(10-11-24)25(29,30)31;20-13-4-1-5-14-11(13)3-2-8-27(14)17-12-9-10(21)6-7-15(12)28-18(16(22)23)25-26-19(28)24-17;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;5-1(6)3(9)11-4(10)2(7)8/h1,3,5-7,13,20H,2,4,10-12H2;1,4-7,9,16H,2-3,8H2;1,4-7,9H,2-3,8,20H2,(H,21,22,23);1H,3-4H2;1-2H.

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

5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane has a molecular weight of 1646.07 g/mol, XLogP of 17.78, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-1-(difluoromethyl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;(2,2-difluoroacetyl) 2,2-difluoroacetate;1-(difluoromethyl)-7-fluoro-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 167649250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).