4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

C28H27ClN2O — CID 126593756

IUPAC4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3cccc(Cl)c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27ClN2O/c1-19-16-26-28(25(10-11-30-26)23-4-3-5-24(29)17-23)20(2)27(19)22-8-6-21(7-9-22)18-31-12-14-32-15-13-31/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeySTOMYKLVRJMKOE-UHFFFAOYSA-N
MW442.99 g/mol
LogP6.67
Rot. Bonds4

About 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (PubChem CID 126593756) has the molecular formula C28H27ClN2O and a molecular weight of 442.99 g/mol. Its IUPAC name is 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
PubChem CID126593756
Molecular FormulaC28H27ClN2O
Molecular Weight442.99 g/mol
Exact Mass442.18
IUPAC Name4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3cccc(Cl)c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27ClN2O/c1-19-16-26-28(25(10-11-30-26)23-4-3-5-24(29)17-23)20(2)27(19)22-8-6-21(7-9-22)18-31-12-14-32-15-13-31/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeySTOMYKLVRJMKOE-UHFFFAOYSA-N
XLogP6.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.99
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (CID 126593756) is 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is Cc1cc2nccc(-c3cccc(Cl)c3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The InChIKey is STOMYKLVRJMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O/c1-19-16-26-28(25(10-11-30-26)23-4-3-5-24(29)17-23)20(2)27(19)22-8-6-21(7-9-22)18-31-12-14-32-15-13-31/h3-11,16-17H,12-15,18H2,1-2H3.
What are the key properties of 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine has a molecular weight of 442.99 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(3-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 126593756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).