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

C25H22ClN5O2 — CID 134371920

IUPAC4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C25H22ClN5O2/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
InChIKeyXCSKRIBOGVGIBR-UHFFFAOYSA-N
MW459.94 g/mol
LogP5.28
Rot. Bonds4

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

4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371920) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371920
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C25H22ClN5O2/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
InChIKeyXCSKRIBOGVGIBR-UHFFFAOYSA-N
XLogP5.28
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.94
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371920) is 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12.
What is the InChIKey of 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is XCSKRIBOGVGIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/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-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 459.94 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).