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

C25H21ClFN5O2 — CID 134371912

IUPAC4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)c(F)ccc12
InChIInChI=1S/C25H21ClFN5O2/c1-2-21-30-23-17(25-29-7-10-34-25)13-15(31-8-11-33-12-9-31)14-20(23)32(21)19-5-6-28-24-16(19)3-4-18(27)22(24)26/h3-7,10,13-14H,2,8-9,11-12H2,1H3
InChIKeyVASBQABXUUDEEX-UHFFFAOYSA-N
MW477.93 g/mol
LogP5.42
Rot. Bonds4

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

4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371912) has the molecular formula C25H21ClFN5O2 and a molecular weight of 477.93 g/mol. Its IUPAC name is 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371912
Molecular FormulaC25H21ClFN5O2
Molecular Weight477.93 g/mol
Exact Mass477.14
IUPAC Name4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)c(F)ccc12
InChIInChI=1S/C25H21ClFN5O2/c1-2-21-30-23-17(25-29-7-10-34-25)13-15(31-8-11-33-12-9-31)14-20(23)32(21)19-5-6-28-24-16(19)3-4-18(27)22(24)26/h3-7,10,13-14H,2,8-9,11-12H2,1H3
InChIKeyVASBQABXUUDEEX-UHFFFAOYSA-N
XLogP5.42
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.93
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[(3S,4S)-1-[3-chloro-7-(1,3-oxazol-2-yl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134266875
[(3S,4S)-1-[3-chloro-7-(1,3-oxazol-2-yl)quinolin-4-yl]-3-methylpiperidin-4-yl]-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134276058
US10214519, Example 200
CID 134361690
US10214519, Example 230
CID 134361801
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 222
CID 134371916
US10214519, Example 223
CID 134371917
US10214519, Example 225
CID 134371919

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371912) is 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)c(F)ccc12.
What is the InChIKey of 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is VASBQABXUUDEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O2/c1-2-21-30-23-17(25-29-7-10-34-25)13-15(31-8-11-33-12-9-31)14-20(23)32(21)19-5-6-28-24-16(19)3-4-18(27)22(24)26/h3-7,10,13-14H,2,8-9,11-12H2,1H3.
What are the key properties of 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 477.93 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloro-7-fluoroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).