6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline

C21H20N4O — CID 163352569

IUPAC6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline
SMILESCOc1ccc2nc(N3CC(n4c(C)nc5ccccc54)C3)ccc2c1
InChIInChI=1S/C21H20N4O/c1-14-22-19-5-3-4-6-20(19)25(14)16-12-24(13-16)21-10-7-15-11-17(26-2)8-9-18(15)23-21/h3-11,16H,12-13H2,1-2H3
InChIKeyYLQFNSYFSYNJCE-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.96
Rot. Bonds3

About 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline

6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline (PubChem CID 163352569) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline.

Molecular Properties

Compound Name6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline
PubChem CID163352569
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline
SMILESCOc1ccc2nc(N3CC(n4c(C)nc5ccccc54)C3)ccc2c1
InChIInChI=1S/C21H20N4O/c1-14-22-19-5-3-4-6-20(19)25(14)16-12-24(13-16)21-10-7-15-11-17(26-2)8-9-18(15)23-21/h3-11,16H,12-13H2,1-2H3
InChIKeyYLQFNSYFSYNJCE-UHFFFAOYSA-N
XLogP3.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline?
The IUPAC name of 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline (CID 163352569) is 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline.
What is the SMILES notation for 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline?
The canonical SMILES for 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline is COc1ccc2nc(N3CC(n4c(C)nc5ccccc54)C3)ccc2c1.
What is the InChIKey of 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline?
The InChIKey is YLQFNSYFSYNJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-22-19-5-3-4-6-20(19)25(14)16-12-24(13-16)21-10-7-15-11-17(26-2)8-9-18(15)23-21/h3-11,16H,12-13H2,1-2H3.
What are the key properties of 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline?
6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline has a molecular weight of 344.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline is sourced from PubChem (CID 163352569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).