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

C30H21ClF4N8O2 — CID 167066805

IUPAC6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC(F)(F)F
InChIInChI=1S/C30H21ClF4N8O2/c31-17-2-4-22(42-12-36-40-41-42)18(9-17)14-7-23-19-10-20(19)26(43(23)24(44)8-14)28-38-25(27(32)39-28)13-1-3-21-15(5-13)6-16(29(45)37-21)11-30(33,34)35/h1-5,7-9,12,16,19-20,26H,6,10-11H2,(H,37,45)(H,38,39)
InChIKeySNBMEJYUKCDRHK-UHFFFAOYSA-N
MW637.00 g/mol
LogP5.44
Rot. Bonds5

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

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066805) has the molecular formula C30H21ClF4N8O2 and a molecular weight of 637.00 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066805
Molecular FormulaC30H21ClF4N8O2
Molecular Weight637.00 g/mol
Exact Mass636.14
IUPAC Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC(F)(F)F
InChIInChI=1S/C30H21ClF4N8O2/c31-17-2-4-22(42-12-36-40-41-42)18(9-17)14-7-23-19-10-20(19)26(43(23)24(44)8-14)28-38-25(27(32)39-28)13-1-3-21-15(5-13)6-16(29(45)37-21)11-30(33,34)35/h1-5,7-9,12,16,19-20,26H,6,10-11H2,(H,37,45)(H,38,39)
InChIKeySNBMEJYUKCDRHK-UHFFFAOYSA-N
XLogP5.44
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.00
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-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-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066805) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-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-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-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-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC(F)(F)F.
What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is SNBMEJYUKCDRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClF4N8O2/c31-17-2-4-22(42-12-36-40-41-42)18(9-17)14-7-23-19-10-20(19)26(43(23)24(44)8-14)28-38-25(27(32)39-28)13-1-3-21-15(5-13)6-16(29(45)37-21)11-30(33,34)35/h1-5,7-9,12,16,19-20,26H,6,10-11H2,(H,37,45)(H,38,39).
What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 637.00 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 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-[2-oxo-3-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinolin-6-yl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).