4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine

C28H28N2O — CID 126594047

IUPAC4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H28N2O/c1-20-18-26-28(25(12-13-29-26)23-6-4-3-5-7-23)21(2)27(20)24-10-8-22(9-11-24)19-30-14-16-31-17-15-30/h3-13,18H,14-17,19H2,1-2H3
InChIKeyKTKSYQLWWRFZEF-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.02
Rot. Bonds4

About 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine

4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine (PubChem CID 126594047) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine
PubChem CID126594047
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H28N2O/c1-20-18-26-28(25(12-13-29-26)23-6-4-3-5-7-23)21(2)27(20)24-10-8-22(9-11-24)19-30-14-16-31-17-15-30/h3-13,18H,14-17,19H2,1-2H3
InChIKeyKTKSYQLWWRFZEF-UHFFFAOYSA-N
XLogP6.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine (CID 126594047) is 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine is Cc1cc2nccc(-c3ccccc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine?
The InChIKey is KTKSYQLWWRFZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-20-18-26-28(25(12-13-29-26)23-6-4-3-5-7-23)21(2)27(20)24-10-8-22(9-11-24)19-30-14-16-31-17-15-30/h3-13,18H,14-17,19H2,1-2H3.
What are the key properties of 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine?
4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine has a molecular weight of 408.55 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5,7-dimethyl-4-phenylquinolin-6-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 126594047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).