5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline

C75H64F9N15 — CID 167538231

About 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline

5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline (PubChem CID 167538231) has the molecular formula C75H64F9N15 and a molecular weight of 1346.42 g/mol. Its IUPAC name is 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline.

Molecular Properties

• Compound Name: 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline
• PubChem CID: 167538231
• Molecular Formula: C75H64F9N15
• Molecular Weight: 1346.42 g/mol
• Exact Mass: 1345.53
• IUPAC Name: 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline
• SMILES: CC(F)(F)C(C)(C)C#Cc1cccc2c1CCCN2c1nc2nncn2c2ccc(F)cc12.CC(F)(F)C(C)(C)C#Cc1cccc2c1CCCN2c1nc2nncn2c2cccc(F)c12.CC(F)(F)C1(C#Cc2cccc3c2CCCN3c2nc3nncn3c3cccc(F)c23)CC1
• InChI: InChI=1S/C25H20F3N5.2C25H22F3N5/c1-24(27,28)25(12-13-25)11-10-16-5-2-8-19-17(16)6-4-14-32(19)22-21-18(26)7-3-9-20(21)33-15-29-31-23(33)30-22;1-24(2,25(3,27)28)13-12-16-7-4-10-19-17(16)8-6-14-32(19)22-21-18(26)9-5-11-20(21)33-15-29-31-23(33)30-22;1-24(2,25(3,27)28)12-11-16-6-4-8-20-18(16)7-5-13-32(20)22-19-14-17(26)9-10-21(19)33-15-29-31-23(33)30-22/h2-3,5,7-9,15H,4,6,12-14H2,1H3;4-5,7,9-11,15H,6,8,14H2,1-3H3;4,6,8-10,14-15H,5,7,13H2,1-3H3
• InChIKey: AVFHPHUHRJHQJW-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 138.96 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.42
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline?

The IUPAC name of 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline (CID 167538231) is 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline.

What is the SMILES notation for 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline?

The canonical SMILES for 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline is CC(F)(F)C(C)(C)C#Cc1cccc2c1CCCN2c1nc2nncn2c2ccc(F)cc12.CC(F)(F)C(C)(C)C#Cc1cccc2c1CCCN2c1nc2nncn2c2cccc(F)c12.CC(F)(F)C1(C#Cc2cccc3c2CCCN3c2nc3nncn3c3cccc(F)c23)CC1.

What is the InChIKey of 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline?

The InChIKey is AVFHPHUHRJHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5.2C25H22F3N5/c1-24(27,28)25(12-13-25)11-10-16-5-2-8-19-17(16)6-4-14-32(19)22-21-18(26)7-3-9-20(21)33-15-29-31-23(33)30-22;1-24(2,25(3,27)28)13-12-16-7-4-10-19-17(16)8-6-14-32(19)22-21-18(26)9-5-11-20(21)33-15-29-31-23(33)30-22;1-24(2,25(3,27)28)12-11-16-6-4-8-20-18(16)7-5-13-32(20)22-19-14-17(26)9-10-21(19)33-15-29-31-23(33)30-22/h2-3,5,7-9,15H,4,6,12-14H2,1H3;4-5,7,9-11,15H,6,8,14H2,1-3H3;4,6,8-10,14-15H,5,7,13H2,1-3H3.

What are the key properties of 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline?

5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline has a molecular weight of 1346.42 g/mol, XLogP of 16.36, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-(4,4-difluoro-3,3-dimethylpent-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazoline is sourced from PubChem (CID 167538231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).