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

C23H19FN6O3 — CID 134361983

IUPAC5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1nc2c(-c3n[nH]c(=O)o3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C23H19FN6O3/c1-13-26-21-17(22-27-28-23(31)33-22)11-15(29-6-8-32-9-7-29)12-20(21)30(13)19-4-5-25-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H,28,31)
InChIKeyGJHFTVLKNLSHHQ-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.20
Rot. Bonds3

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

5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 134361983) has the molecular formula C23H19FN6O3 and a molecular weight of 446.44 g/mol. Its IUPAC name is 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID134361983
Molecular FormulaC23H19FN6O3
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Name5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1nc2c(-c3n[nH]c(=O)o3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C23H19FN6O3/c1-13-26-21-17(22-27-28-23(31)33-22)11-15(29-6-8-32-9-7-29)12-20(21)30(13)19-4-5-25-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H,28,31)
InChIKeyGJHFTVLKNLSHHQ-UHFFFAOYSA-N
XLogP3.20
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10214519, Example 164
CID 134361910
US10214519, Example 163
CID 134361919
US10214519, Example 44
CID 134371746
US10214519, Example 45
CID 134371751
US10214519, Example 3
CID 134371754
US10214519, Example 7
CID 134371756
US10214519, Example 350
CID 134371773
US10214519, Example 21
CID 134371778
US10214519, Example 22
CID 134371779
US10214519, Example 81
CID 134371788
US10214519, Example 90
CID 134371796
US10214519, Example 95
CID 134371801

Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 134361983) is 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one is Cc1nc2c(-c3n[nH]c(=O)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]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GJHFTVLKNLSHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O3/c1-13-26-21-17(22-27-28-23(31)33-22)11-15(29-6-8-32-9-7-29)12-20(21)30(13)19-4-5-25-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H,28,31).
What are the key properties of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 446.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 134361983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).