6-[5-chloro-2-(triazol-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

C29H20ClF2N7O2 — CID 167066810

IUPAC6-[5-chloro-2-(triazol-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-n6ccnn6)cc(=O)n54)[nH]c3F)c2F)N1
InChIInChI=1S/C29H20ClF2N7O2/c30-14-1-5-21(38-8-7-33-37-38)17(11-14)13-9-22-18-12-19(18)27(39(22)24(41)10-13)29-35-26(28(32)36-29)16-2-4-20-15(25(16)31)3-6-23(40)34-20/h1-2,4-5,7-11,18-19,27H,3,6,12H2,(H,34,40)(H,35,36)
InChIKeyPAPNLJMRWILNQX-UHFFFAOYSA-N
MW571.98 g/mol
LogP5.01
Rot. Bonds4

About 6-[5-chloro-2-(triazol-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-(triazol-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 167066810) has the molecular formula C29H20ClF2N7O2 and a molecular weight of 571.98 g/mol. Its IUPAC name is 6-[5-chloro-2-(triazol-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-(triazol-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 CID167066810
Molecular FormulaC29H20ClF2N7O2
Molecular Weight571.98 g/mol
Exact Mass571.13
IUPAC Name6-[5-chloro-2-(triazol-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-n6ccnn6)cc(=O)n54)[nH]c3F)c2F)N1
InChIInChI=1S/C29H20ClF2N7O2/c30-14-1-5-21(38-8-7-33-37-38)17(11-14)13-9-22-18-12-19(18)27(39(22)24(41)10-13)29-35-26(28(32)36-29)16-2-4-20-15(25(16)31)3-6-23(40)34-20/h1-2,4-5,7-11,18-19,27H,3,6,12H2,(H,34,40)(H,35,36)
InChIKeyPAPNLJMRWILNQX-UHFFFAOYSA-N
XLogP5.01
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.98
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[5-chloro-2-(triazol-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-(triazol-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-(triazol-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 167066810) is 6-[5-chloro-2-(triazol-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-(triazol-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-(triazol-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-n6ccnn6)cc(=O)n54)[nH]c3F)c2F)N1.
What is the InChIKey of 6-[5-chloro-2-(triazol-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 PAPNLJMRWILNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF2N7O2/c30-14-1-5-21(38-8-7-33-37-38)17(11-14)13-9-22-18-12-19(18)27(39(22)24(41)10-13)29-35-26(28(32)36-29)16-2-4-20-15(25(16)31)3-6-23(40)34-20/h1-2,4-5,7-11,18-19,27H,3,6,12H2,(H,34,40)(H,35,36).
What are the key properties of 6-[5-chloro-2-(triazol-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-(triazol-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 571.98 g/mol, XLogP of 5.01, 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-(triazol-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 167066810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).