6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C30H21ClF3N7O2 — CID 167066869

About 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066869) has the molecular formula C30H21ClF3N7O2 and a molecular weight of 603.99 g/mol. Its IUPAC name is 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167066869
• Molecular Formula: C30H21ClF3N7O2
• Molecular Weight: 603.99 g/mol
• Exact Mass: 603.14
• IUPAC Name: 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: O=C1CCc2cc(-c3ncc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc2N1
• InChI: InChI=1S/C30H21ClF3N7O2/c31-17-3-5-23(40-13-25(38-39-40)30(32,33)34)18(10-17)16-8-24-19-11-20(19)28(41(24)27(43)9-16)22-12-35-29(37-22)15-1-4-21-14(7-15)2-6-26(42)36-21/h1,3-5,7-10,12-13,19-20,28H,2,6,11H2,(H,35,37)(H,36,42)
• InChIKey: ONTHLDZDASVKGA-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 110.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.99
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The IUPAC name of 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066869) is 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

What is the SMILES notation for 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The canonical SMILES for 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is O=C1CCc2cc(-c3ncc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc2N1.

What is the InChIKey of 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The InChIKey is ONTHLDZDASVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClF3N7O2/c31-17-3-5-23(40-13-25(38-39-40)30(32,33)34)18(10-17)16-8-24-19-11-20(19)28(41(24)27(43)9-16)22-12-35-29(37-22)15-1-4-21-14(7-15)2-6-26(42)36-21/h1,3-5,7-10,12-13,19-20,28H,2,6,11H2,(H,35,37)(H,36,42).

What are the key properties of 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 603.99 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).