2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone

C28H26N2O3 — CID 39860435

IUPAC2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc2nc(-c3ccc(OCC(=O)N4CCOCC4)cc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C28H26N2O3/c1-20-7-12-26-25(17-20)24(21-5-3-2-4-6-21)18-27(29-26)22-8-10-23(11-9-22)33-19-28(31)30-13-15-32-16-14-30/h2-12,17-18H,13-16,19H2,1H3
InChIKeyXSAXNKPIQXIVMO-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.11
Rot. Bonds5

About 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone

2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 39860435) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID39860435
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc2nc(-c3ccc(OCC(=O)N4CCOCC4)cc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C28H26N2O3/c1-20-7-12-26-25(17-20)24(21-5-3-2-4-6-21)18-27(29-26)22-8-10-23(11-9-22)33-19-28(31)30-13-15-32-16-14-30/h2-12,17-18H,13-16,19H2,1H3
InChIKeyXSAXNKPIQXIVMO-UHFFFAOYSA-N
XLogP5.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
N-[4-(6-methyl-4-phenylquinolin-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 24685354
[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
2-[4-[3-methyl-2-(4-methylbenzoyl)-8-phenylfuro[2,3-e][1]benzofuran-7-carbonyl]phenoxy]-1-morpholin-4-ylethanone
CID 141472552

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone (CID 39860435) is 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone is Cc1ccc2nc(-c3ccc(OCC(=O)N4CCOCC4)cc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is XSAXNKPIQXIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-20-7-12-26-25(17-20)24(21-5-3-2-4-6-21)18-27(29-26)22-8-10-23(11-9-22)33-19-28(31)30-13-15-32-16-14-30/h2-12,17-18H,13-16,19H2,1H3.
What are the key properties of 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 438.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 39860435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).