5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one

C26H22ClN3O2 — CID 68875933

IUPAC5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one
SMILESCc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C3CNC(=O)N3C)c2)c1
InChIInChI=1S/C26H22ClN3O2/c1-16-14-28-25-21(10-5-11-22(25)27)24(16)18-7-4-9-20(13-18)32-19-8-3-6-17(12-19)23-15-29-26(31)30(23)2/h3-14,23H,15H2,1-2H3,(H,29,31)
InChIKeyYOIIMWOHYFBYBF-UHFFFAOYSA-N
MW443.93 g/mol
LogP6.35
Rot. Bonds4

About 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one

5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one (PubChem CID 68875933) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one
PubChem CID68875933
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one
SMILESCc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C3CNC(=O)N3C)c2)c1
InChIInChI=1S/C26H22ClN3O2/c1-16-14-28-25-21(10-5-11-22(25)27)24(16)18-7-4-9-20(13-18)32-19-8-3-6-17(12-19)23-15-29-26(31)30(23)2/h3-14,23H,15H2,1-2H3,(H,29,31)
InChIKeyYOIIMWOHYFBYBF-UHFFFAOYSA-N
XLogP6.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one?
The IUPAC name of 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one (CID 68875933) is 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one?
The canonical SMILES for 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one is Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C3CNC(=O)N3C)c2)c1.
What is the InChIKey of 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one?
The InChIKey is YOIIMWOHYFBYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-16-14-28-25-21(10-5-11-22(25)27)24(16)18-7-4-9-20(13-18)32-19-8-3-6-17(12-19)23-15-29-26(31)30(23)2/h3-14,23H,15H2,1-2H3,(H,29,31).
What are the key properties of 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one?
5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one has a molecular weight of 443.93 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-1-methylimidazolidin-2-one is sourced from PubChem (CID 68875933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).