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

C101H79Br4Cl3F11N21 — CID 167564404

About 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 167564404) has the molecular formula C101H79Br4Cl3F11N21 and a molecular weight of 2221.84 g/mol. Its IUPAC name is 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
• PubChem CID: 167564404
• Molecular Formula: C101H79Br4Cl3F11N21
• Molecular Weight: 2221.84 g/mol
• Exact Mass: 2215.25
• IUPAC Name: 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
• SMILES: Brc1cccc2c1CCCN2.C#CC1(C(F)(F)F)CC1.Cc1nnc2nc(N3CCC(Br)c4ccccc43)c3cc(F)ccc3n12.Cc1nnc2nc(N3CCCc4c(C#CC5(C(F)(F)F)CC5)cccc43)c3cc(F)ccc3n12.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N3CCCc4c(Br)cccc43)c2c1.NNc1nc(N2CCCc3c(Br)cccc32)c2cc(F)ccc2n1
• InChI: InChI=1S/C25H19F4N5.C19H15BrFN5.C17H12BrClFN3.C17H15BrFN5.C9H10BrN.C8H3Cl2FN2.C6H5F3/c1-15-31-32-23-30-22(19-14-17(26)7-8-21(19)34(15)23)33-13-3-5-18-16(4-2-6-20(18)33)9-10-24(11-12-24)25(27,28)29;1-11-23-24-19-22-18(14-10-12(21)6-7-17(14)26(11)19)25-9-8-15(20)13-4-2-3-5-16(13)25;18-13-4-1-5-15-11(13)3-2-8-23(15)16-12-9-10(20)6-7-14(12)21-17(19)22-16;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;10-8-4-1-5-9-7(8)3-2-6-11-9;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-2-5(3-4-5)6(7,8)9/h2,4,6-8,14H,3,5,11-13H2,1H3;2-7,10,15H,8-9H2,1H3;1,4-7,9H,2-3,8H2;1,4-7,9H,2-3,8,20H2,(H,21,22,23);1,4-5,11H,2-3,6H2;1-3H;1H,3-4H2
• InChIKey: FBZSOGNMVDOMKU-UHFFFAOYSA-N
• XLogP: 27.22
• TPSA: 226.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.84
LogP ≤ 5	27.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', '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 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline (CID 167564404) is 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline is Brc1cccc2c1CCCN2.C#CC1(C(F)(F)F)CC1.Cc1nnc2nc(N3CCC(Br)c4ccccc43)c3cc(F)ccc3n12.Cc1nnc2nc(N3CCCc4c(C#CC5(C(F)(F)F)CC5)cccc43)c3cc(F)ccc3n12.Fc1ccc2nc(Cl)nc(Cl)c2c1.Fc1ccc2nc(Cl)nc(N3CCCc4c(Br)cccc43)c2c1.NNc1nc(N2CCCc3c(Br)cccc32)c2cc(F)ccc2n1.

What is the InChIKey of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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 FBZSOGNMVDOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N5.C19H15BrFN5.C17H12BrClFN3.C17H15BrFN5.C9H10BrN.C8H3Cl2FN2.C6H5F3/c1-15-31-32-23-30-22(19-14-17(26)7-8-21(19)34(15)23)33-13-3-5-18-16(4-2-6-20(18)33)9-10-24(11-12-24)25(27,28)29;1-11-23-24-19-22-18(14-10-12(21)6-7-17(14)26(11)19)25-9-8-15(20)13-4-2-3-5-16(13)25;18-13-4-1-5-15-11(13)3-2-8-23(15)16-12-9-10(20)6-7-14(12)21-17(19)22-16;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;10-8-4-1-5-9-7(8)3-2-6-11-9;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-2-5(3-4-5)6(7,8)9/h2,4,6-8,14H,3,5,11-13H2,1H3;2-7,10,15H,8-9H2,1H3;1,4-7,9H,2-3,8H2;1,4-7,9H,2-3,8,20H2,(H,21,22,23);1,4-5,11H,2-3,6H2;1-3H;1H,3-4H2.

What are the key properties of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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 2221.84 g/mol, XLogP of 27.22, 5 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-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 167564404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).