4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

C25H22FN5O2 — CID 134371906

IUPAC4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C25H22FN5O2/c1-2-22-29-24-18(25-28-8-11-33-25)14-16(30-9-12-32-13-10-30)15-21(24)31(22)20-6-7-27-23-17(20)4-3-5-19(23)26/h3-8,11,14-15H,2,9-10,12-13H2,1H3
InChIKeyPEXUGHXNRXAXGZ-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.77
Rot. Bonds4

About 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371906) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371906
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C25H22FN5O2/c1-2-22-29-24-18(25-28-8-11-33-25)14-16(30-9-12-32-13-10-30)15-21(24)31(22)20-6-7-27-23-17(20)4-3-5-19(23)26/h3-8,11,14-15H,2,9-10,12-13H2,1H3
InChIKeyPEXUGHXNRXAXGZ-UHFFFAOYSA-N
XLogP4.77
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine with MolForge

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Related Compounds

[(3S,4S)-3-methyl-1-[7-(1,3-oxazol-2-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134265003
4-Acetyl-1-[3-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3,3-dimethylpiperazin-2-one
CID 137640131
(2S,4R)-1-(2-(3-acetyl-5-(pyrimidin-5-ylamino)-1H-indol-1-yl)acetyl)-N-(5-(benzyloxy)pyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 118322648
US10138212, Example 98
CID 122444924
[(3S,4S)-3-methyl-1-[7-(4-methyl-1,3-oxazol-2-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264988
US10214519, Example 200
CID 134361690
US10214519, Example 230
CID 134361801
US10214519, Example 163
CID 134361919
US10214519, Example 214
CID 134371907
US10214519, Example 217
CID 134371911
US10214519, Example 218
CID 134371912
US10214519, Example 219
CID 134371913

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371906) is 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12.
What is the InChIKey of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is PEXUGHXNRXAXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-2-22-29-24-18(25-28-8-11-33-25)14-16(30-9-12-32-13-10-30)15-21(24)31(22)20-6-7-27-23-17(20)4-3-5-19(23)26/h3-8,11,14-15H,2,9-10,12-13H2,1H3.
What are the key properties of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 443.48 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).