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

C29H19Cl2F2N7O2 — CID 167066830

IUPAC6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=C1CCc2c(ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]c3F)c2F)N1
InChIInChI=1S/C29H19Cl2F2N7O2/c30-13-1-5-20(39-11-22(31)37-38-39)16(9-13)12-7-21-17-10-18(17)27(40(21)24(42)8-12)29-35-26(28(33)36-29)15-2-4-19-14(25(15)32)3-6-23(41)34-19/h1-2,4-5,7-9,11,17-18,27H,3,6,10H2,(H,34,41)(H,35,36)
InChIKeyRZGDFKUXVWMYIF-UHFFFAOYSA-N
MW606.42 g/mol
LogP5.66
Rot. Bonds4

About 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-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-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066830) has the molecular formula C29H19Cl2F2N7O2 and a molecular weight of 606.42 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066830
Molecular FormulaC29H19Cl2F2N7O2
Molecular Weight606.42 g/mol
Exact Mass605.09
IUPAC Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=C1CCc2c(ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]c3F)c2F)N1
InChIInChI=1S/C29H19Cl2F2N7O2/c30-13-1-5-20(39-11-22(31)37-38-39)16(9-13)12-7-21-17-10-18(17)27(40(21)24(42)8-12)29-35-26(28(33)36-29)15-2-4-19-14(25(15)32)3-6-23(41)34-19/h1-2,4-5,7-9,11,17-18,27H,3,6,10H2,(H,34,41)(H,35,36)
InChIKeyRZGDFKUXVWMYIF-UHFFFAOYSA-N
XLogP5.66
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.42
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066830) is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-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-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is O=C1CCc2c(ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]c3F)c2F)N1.
What is the InChIKey of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is RZGDFKUXVWMYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Cl2F2N7O2/c30-13-1-5-20(39-11-22(31)37-38-39)16(9-13)12-7-21-17-10-18(17)27(40(21)24(42)8-12)29-35-26(28(33)36-29)15-2-4-19-14(25(15)32)3-6-23(41)34-19/h1-2,4-5,7-9,11,17-18,27H,3,6,10H2,(H,34,41)(H,35,36).
What are the key properties of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(5-fluoro-2-oxo-3,4-dihydro-1H-quinolin-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-fluoro-4-(5-fluoro-2-oxo-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 606.42 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 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-fluoro-4-(5-fluoro-2-oxo-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 167066830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).