5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine

C23H20FN7O2 — CID 134361919

IUPAC5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1nc2c(-c3nnc(N)o3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C23H20FN7O2/c1-13-27-21-17(22-28-29-23(25)33-22)11-15(30-6-8-32-9-7-30)12-20(21)31(13)19-4-5-26-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H2,25,29)
InChIKeyGVWWSOCUDXPFPL-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.49
Rot. Bonds3

About 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine

5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 134361919) has the molecular formula C23H20FN7O2 and a molecular weight of 445.46 g/mol. Its IUPAC name is 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine
PubChem CID134361919
Molecular FormulaC23H20FN7O2
Molecular Weight445.46 g/mol
Exact Mass445.17
IUPAC Name5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1nc2c(-c3nnc(N)o3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C23H20FN7O2/c1-13-27-21-17(22-28-29-23(25)33-22)11-15(30-6-8-32-9-7-30)12-20(21)31(13)19-4-5-26-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H2,25,29)
InChIKeyGVWWSOCUDXPFPL-UHFFFAOYSA-N
XLogP3.49
TPSA108.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

US10214519, Example 200
CID 134361690
US10214519, Example 230
CID 134361801
US10214519, Example 164
CID 134361910
US10214519, Example 166
CID 134361983
US10214519, Example 213
CID 134371906
US10214519, Example 214
CID 134371907
US10214519, Example 217
CID 134371911
US10214519, Example 219
CID 134371913
US10214519, Example 221
CID 134371914
US10214519, Example 223
CID 134371917
US10214519, Example 225
CID 134371919
US10214519, Example 229
CID 134371923

Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine (CID 134361919) is 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine is Cc1nc2c(-c3nnc(N)o3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12.
What is the InChIKey of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GVWWSOCUDXPFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O2/c1-13-27-21-17(22-28-29-23(25)33-22)11-15(30-6-8-32-9-7-30)12-20(21)31(13)19-4-5-26-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H2,25,29).
What are the key properties of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine?
5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 445.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 134361919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).