4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine

C26H23ClFN5O2 — CID 134371916

IUPAC4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cc(F)cc12
InChIInChI=1S/C26H23ClFN5O2/c1-2-3-23-31-25-19(26-30-6-9-35-26)14-17(32-7-10-34-11-8-32)15-22(25)33(23)21-4-5-29-24-18(21)12-16(28)13-20(24)27/h4-6,9,12-15H,2-3,7-8,10-11H2,1H3
InChIKeyDDARUYYUWRQPJI-UHFFFAOYSA-N
MW491.95 g/mol
LogP5.81
Rot. Bonds5

About 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine

4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine (PubChem CID 134371916) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
PubChem CID134371916
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC Name4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine
SMILESCCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cc(F)cc12
InChIInChI=1S/C26H23ClFN5O2/c1-2-3-23-31-25-19(26-30-6-9-35-26)14-17(32-7-10-34-11-8-32)15-22(25)33(23)21-4-5-29-24-18(21)12-16(28)13-20(24)27/h4-6,9,12-15H,2-3,7-8,10-11H2,1H3
InChIKeyDDARUYYUWRQPJI-UHFFFAOYSA-N
XLogP5.81
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.95
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine (CID 134371916) is 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine is CCCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cc(F)cc12.
What is the InChIKey of 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
The InChIKey is DDARUYYUWRQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c1-2-3-23-31-25-19(26-30-6-9-35-26)14-17(32-7-10-34-11-8-32)15-22(25)33(23)21-4-5-29-24-18(21)12-16(28)13-20(24)27/h4-6,9,12-15H,2-3,7-8,10-11H2,1H3.
What are the key properties of 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine?
4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine has a molecular weight of 491.95 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloro-6-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)-2-propylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).