4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

C28H27ClN2O — CID 126594091

IUPAC4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3ccccc3Cl)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27ClN2O/c1-19-17-26-28(24(11-12-30-26)23-5-3-4-6-25(23)29)20(2)27(19)22-9-7-21(8-10-22)18-31-13-15-32-16-14-31/h3-12,17H,13-16,18H2,1-2H3
InChIKeyGUWQPSOHTJRKHY-UHFFFAOYSA-N
MW442.99 g/mol
LogP6.67
Rot. Bonds4

About 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (PubChem CID 126594091) has the molecular formula C28H27ClN2O and a molecular weight of 442.99 g/mol. Its IUPAC name is 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
PubChem CID126594091
Molecular FormulaC28H27ClN2O
Molecular Weight442.99 g/mol
Exact Mass442.18
IUPAC Name4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCc1cc2nccc(-c3ccccc3Cl)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C28H27ClN2O/c1-19-17-26-28(24(11-12-30-26)23-5-3-4-6-25(23)29)20(2)27(19)22-9-7-21(8-10-22)18-31-13-15-32-16-14-31/h3-12,17H,13-16,18H2,1-2H3
InChIKeyGUWQPSOHTJRKHY-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

Analyze 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
CID 126594106
4-(3-aminophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]chromen-2-one;dihydrochloride
CID 90665119
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
CID 71153436
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine
CID 163435159
4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole
CID 178060103
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 112796045
4-(2,4-dimethoxy-5-propan-2-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxylic acid
CID 178145948
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine
CID 10274522

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (CID 126594091) is 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is Cc1cc2nccc(-c3ccccc3Cl)c2c(C)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The InChIKey is GUWQPSOHTJRKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O/c1-19-17-26-28(24(11-12-30-26)23-5-3-4-6-25(23)29)20(2)27(19)22-9-7-21(8-10-22)18-31-13-15-32-16-14-31/h3-12,17H,13-16,18H2,1-2H3.
What are the key properties of 4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
4-[[4-[4-(2-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-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 126594091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).