[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone

C20H20N2O2S — CID 35330795

IUPAC[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(C)c3n2)s1
InChIInChI=1S/C20H20N2O2S/c1-13-4-3-5-15-16(20(23)22-8-10-24-11-9-22)12-17(21-19(13)15)18-7-6-14(2)25-18/h3-7,12H,8-11H2,1-2H3
InChIKeySTLHESVNHSCYOT-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.05
Rot. Bonds2

About [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone

[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 35330795) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID35330795
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(C)c3n2)s1
InChIInChI=1S/C20H20N2O2S/c1-13-4-3-5-15-16(20(23)22-8-10-24-11-9-22)12-17(21-19(13)15)18-7-6-14(2)25-18/h3-7,12H,8-11H2,1-2H3
InChIKeySTLHESVNHSCYOT-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(4-benzhydrylpiperazin-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1010741
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 17259950
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1022891
2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carbonyl chloride
CID 46779316
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone
CID 162644548
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74249309
(4-benzhydrylpiperazin-4-ium-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 4748948

Frequently Asked Questions

What is the IUPAC name of [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 35330795) is [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(C)c3n2)s1.
What is the InChIKey of [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is STLHESVNHSCYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-4-3-5-15-16(20(23)22-8-10-24-11-9-22)12-17(21-19(13)15)18-7-6-14(2)25-18/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 35330795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).