6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one

C29H19ClF4N8O2 — CID 174026685

About 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one

6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 174026685) has the molecular formula C29H19ClF4N8O2 and a molecular weight of 622.97 g/mol. Its IUPAC name is 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one
• PubChem CID: 174026685
• Molecular Formula: C29H19ClF4N8O2
• Molecular Weight: 622.97 g/mol
• Exact Mass: 622.13
• IUPAC Name: 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one
• SMILES: C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc3[nH]c(=O)c(C(F)(F)F)cc3c2)c(F)[nH]1
• InChI: InChI=1S/C29H19ClF4N8O2/c1-13-6-18-8-15(19-11-17(30)3-5-22(19)41-12-35-39-40-41)10-23(43)42(18)25(13)27-37-24(26(31)38-27)14-2-4-21-16(7-14)9-20(28(44)36-21)29(32,33)34/h2-5,7-13,25H,6H2,1H3,(H,36,44)(H,37,38)/t13-,25-/m0/s1
• InChIKey: HVYMKFHXQOLGMK-CANCMXDXSA-N
• XLogP: 5.32
• TPSA: 127.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.97
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one?

The IUPAC name of 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one (CID 174026685) is 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one.

What is the SMILES notation for 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one?

The canonical SMILES for 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one is C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1nc(-c2ccc3[nH]c(=O)c(C(F)(F)F)cc3c2)c(F)[nH]1.

What is the InChIKey of 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one?

The InChIKey is HVYMKFHXQOLGMK-CANCMXDXSA-N. The full InChI is InChI=1S/C29H19ClF4N8O2/c1-13-6-18-8-15(19-11-17(30)3-5-22(19)41-12-35-39-40-41)10-23(43)42(18)25(13)27-37-24(26(31)38-27)14-2-4-21-16(7-14)9-20(28(44)36-21)29(32,33)34/h2-5,7-13,25H,6H2,1H3,(H,36,44)(H,37,38)/t13-,25-/m0/s1.

What are the key properties of 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one?

6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 622.97 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-5-fluoro-1H-imidazol-4-yl]-3-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 174026685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).