6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C31H20ClF4N7O — CID 167635565

About 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167635565) has the molecular formula C31H20ClF4N7O and a molecular weight of 617.99 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

• Compound Name: 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• PubChem CID: 167635565
• Molecular Formula: C31H20ClF4N7O
• Molecular Weight: 617.99 g/mol
• Exact Mass: 617.14
• IUPAC Name: 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
• SMILES: C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F
• InChI: InChI=1S/C31H20ClF4N7O/c1-14-6-16-3-2-15(7-23(16)38-29(14)31(34,35)36)20-12-24(39-30(20)33)28-22-11-21(22)26-8-17(9-27(44)43(26)28)19-10-18(32)4-5-25(19)42-13-37-40-41-42/h2-5,7-10,13,21-22,28H,1,6,11-12H2
• InChIKey: HLRRFOBXLMBACN-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 90.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.99
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167635565) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

What is the SMILES notation for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The canonical SMILES for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1Cc2ccc(C3=C(F)N=C(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)C3)cc2N=C1C(F)(F)F.

What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

The InChIKey is HLRRFOBXLMBACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClF4N7O/c1-14-6-16-3-2-15(7-23(16)38-29(14)31(34,35)36)20-12-24(39-30(20)33)28-22-11-21(22)26-8-17(9-27(44)43(26)28)19-10-18(32)4-5-25(19)42-13-37-40-41-42/h2-5,7-10,13,21-22,28H,1,6,11-12H2.

What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 617.99 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[3-methylidene-2-(trifluoromethyl)-4H-quinolin-7-yl]-3H-pyrrol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167635565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).