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

C31H24ClFN8O2 — CID 166047810

IUPAC6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-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)cc2CC1C1CC1
InChIInChI=1S/C31H24ClFN8O2/c32-18-4-6-24(40-13-34-38-39-40)19(11-18)16-9-25-21-12-22(21)28(41(25)26(42)10-16)30-36-27(29(33)37-30)15-3-5-23-17(7-15)8-20(14-1-2-14)31(43)35-23/h3-7,9-11,13-14,20-22,28H,1-2,8,12H2,(H,35,43)(H,36,37)
InChIKeyHNMPPJUXUUKIPH-UHFFFAOYSA-N
MW595.04 g/mol
LogP4.90
Rot. Bonds5

About 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-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-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 166047810) has the molecular formula C31H24ClFN8O2 and a molecular weight of 595.04 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-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-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID166047810
Molecular FormulaC31H24ClFN8O2
Molecular Weight595.04 g/mol
Exact Mass594.17
IUPAC Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-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)cc2CC1C1CC1
InChIInChI=1S/C31H24ClFN8O2/c32-18-4-6-24(40-13-34-38-39-40)19(11-18)16-9-25-21-12-22(21)28(41(25)26(42)10-16)30-36-27(29(33)37-30)15-3-5-23-17(7-15)8-20(14-1-2-14)31(43)35-23/h3-7,9-11,13-14,20-22,28H,1-2,8,12H2,(H,35,43)(H,36,37)
InChIKeyHNMPPJUXUUKIPH-UHFFFAOYSA-N
XLogP4.90
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.04
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-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-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-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-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 166047810) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-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-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-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-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-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)cc2CC1C1CC1.
What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is HNMPPJUXUUKIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClFN8O2/c32-18-4-6-24(40-13-34-38-39-40)19(11-18)16-9-25-21-12-22(21)28(41(25)26(42)10-16)30-36-27(29(33)37-30)15-3-5-23-17(7-15)8-20(14-1-2-14)31(43)35-23/h3-7,9-11,13-14,20-22,28H,1-2,8,12H2,(H,35,43)(H,36,37).
What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-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-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 595.04 g/mol, XLogP of 4.90, 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-[4-(3-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 166047810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).