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

C51H42Cl2N6O4 — CID 68877364

IUPAC1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one
SMILESCc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(N3CCN(C)C3=O)c2)c1.Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C26H22ClN3O2.C25H20ClN3O2/c1-17-16-28-25-22(10-5-11-23(25)27)24(17)18-6-3-8-20(14-18)32-21-9-4-7-19(15-21)30-13-12-29(2)26(30)31;1-16-15-28-24-21(9-4-10-22(24)26)23(16)17-5-2-7-19(13-17)31-20-8-3-6-18(14-20)29-12-11-27-25(29)30/h3-11,14-16H,12-13H2,1-2H3;2-10,13-15H,11-12H2,1H3,(H,27,30)
InChIKeyXRSIGGOYKKJLBT-UHFFFAOYSA-N
MW873.84 g/mol
LogP12.71
Rot. Bonds8

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

1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one (PubChem CID 68877364) has the molecular formula C51H42Cl2N6O4 and a molecular weight of 873.84 g/mol. Its IUPAC name is 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one
PubChem CID68877364
Molecular FormulaC51H42Cl2N6O4
Molecular Weight873.84 g/mol
Exact Mass872.26
IUPAC Name1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one
SMILESCc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(N3CCN(C)C3=O)c2)c1.Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C26H22ClN3O2.C25H20ClN3O2/c1-17-16-28-25-22(10-5-11-23(25)27)24(17)18-6-3-8-20(14-18)32-21-9-4-7-19(15-21)30-13-12-29(2)26(30)31;1-16-15-28-24-21(9-4-10-22(24)26)23(16)17-5-2-7-19(13-17)31-20-8-3-6-18(14-20)29-12-11-27-25(29)30/h3-11,14-16H,12-13H2,1-2H3;2-10,13-15H,11-12H2,1H3,(H,27,30)
InChIKeyXRSIGGOYKKJLBT-UHFFFAOYSA-N
XLogP12.71
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.84
LogP ≤ 512.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one (CID 68877364) is 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one is Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(N3CCN(C)C3=O)c2)c1.Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(N3CCNC3=O)c2)c1.
What is the InChIKey of 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is XRSIGGOYKKJLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2.C25H20ClN3O2/c1-17-16-28-25-22(10-5-11-23(25)27)24(17)18-6-3-8-20(14-18)32-21-9-4-7-19(15-21)30-13-12-29(2)26(30)31;1-16-15-28-24-21(9-4-10-22(24)26)23(16)17-5-2-7-19(13-17)31-20-8-3-6-18(14-20)29-12-11-27-25(29)30/h3-11,14-16H,12-13H2,1-2H3;2-10,13-15H,11-12H2,1H3,(H,27,30).
What are the key properties of 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one?
1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 873.84 g/mol, XLogP of 12.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]imidazolidin-2-one;1-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 68877364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).