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

C30H22Cl2FN7O2 — CID 167066669

IUPAC6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCN1C(=O)CCc2c1ccc(-c1cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(Cl)nn5)cc(=O)n43)[nH]1)c2F
InChIInChI=1S/C30H22Cl2FN7O2/c1-38-22-6-3-16(28(33)17(22)4-7-26(38)41)21-12-34-30(35-21)29-20-11-19(20)24-8-14(9-27(42)40(24)29)18-10-15(31)2-5-23(18)39-13-25(32)36-37-39/h2-3,5-6,8-10,12-13,19-20,29H,4,7,11H2,1H3,(H,34,35)
InChIKeyVDPWEOCWNUXPOA-UHFFFAOYSA-N
MW602.46 g/mol
LogP5.55
Rot. Bonds4

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

6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066669) has the molecular formula C30H22Cl2FN7O2 and a molecular weight of 602.46 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066669
Molecular FormulaC30H22Cl2FN7O2
Molecular Weight602.46 g/mol
Exact Mass601.12
IUPAC Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCN1C(=O)CCc2c1ccc(-c1cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(Cl)nn5)cc(=O)n43)[nH]1)c2F
InChIInChI=1S/C30H22Cl2FN7O2/c1-38-22-6-3-16(28(33)17(22)4-7-26(38)41)21-12-34-30(35-21)29-20-11-19(20)24-8-14(9-27(42)40(24)29)18-10-15(31)2-5-23(18)39-13-25(32)36-37-39/h2-3,5-6,8-10,12-13,19-20,29H,4,7,11H2,1H3,(H,34,35)
InChIKeyVDPWEOCWNUXPOA-UHFFFAOYSA-N
XLogP5.55
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066669) is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is CN1C(=O)CCc2c1ccc(-c1cnc(C3C4CC4c4cc(-c5cc(Cl)ccc5-n5cc(Cl)nn5)cc(=O)n43)[nH]1)c2F.
What is the InChIKey of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is VDPWEOCWNUXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2FN7O2/c1-38-22-6-3-16(28(33)17(22)4-7-26(38)41)21-12-34-30(35-21)29-20-11-19(20)24-8-14(9-27(42)40(24)29)18-10-15(31)2-5-23(18)39-13-25(32)36-37-39/h2-3,5-6,8-10,12-13,19-20,29H,4,7,11H2,1H3,(H,34,35).
What are the key properties of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 602.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(5-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).