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

C30H24ClFN8O2 — CID 167066804

IUPAC6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCC1(C)Cc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2NC1=O
InChIInChI=1S/C30H24ClFN8O2/c1-30(2)12-16-7-14(3-5-21(16)34-29(30)42)25-27(32)36-28(35-25)26-20-11-19(20)23-8-15(9-24(41)40(23)26)18-10-17(31)4-6-22(18)39-13-33-37-38-39/h3-10,13,19-20,26H,11-12H2,1-2H3,(H,34,42)(H,35,36)
InChIKeyXWFXIGAZBXPDID-UHFFFAOYSA-N
MW583.03 g/mol
LogP4.90
Rot. Bonds4

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

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066804) has the molecular formula C30H24ClFN8O2 and a molecular weight of 583.03 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-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-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066804
Molecular FormulaC30H24ClFN8O2
Molecular Weight583.03 g/mol
Exact Mass582.17
IUPAC Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCC1(C)Cc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2NC1=O
InChIInChI=1S/C30H24ClFN8O2/c1-30(2)12-16-7-14(3-5-21(16)34-29(30)42)25-27(32)36-28(35-25)26-20-11-19(20)23-8-15(9-24(41)40(23)26)18-10-17(31)4-6-22(18)39-13-33-37-38-39/h3-10,13,19-20,26H,11-12H2,1-2H3,(H,34,42)(H,35,36)
InChIKeyXWFXIGAZBXPDID-UHFFFAOYSA-N
XLogP4.90
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.03
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-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-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-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-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066804) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-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-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-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-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is CC1(C)Cc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2NC1=O.
What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is XWFXIGAZBXPDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClFN8O2/c1-30(2)12-16-7-14(3-5-21(16)34-29(30)42)25-27(32)36-28(35-25)26-20-11-19(20)23-8-15(9-24(41)40(23)26)18-10-17(31)4-6-22(18)39-13-33-37-38-39/h3-10,13,19-20,26H,11-12H2,1-2H3,(H,34,42)(H,35,36).
What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 583.03 g/mol, XLogP of 4.90, 4 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-[4-(3,3-dimethyl-2-oxo-1,4-dihydroquinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).