1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine

C22H23N3O2S — CID 25378808

IUPAC1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(-c3ccc(C)s3)oc2C)c2cccnc12
InChIInChI=1S/C22H23N3O2S/c1-14-7-10-20(28-14)22-24-18(15(2)27-22)13-25(3)12-16-8-9-19(26-4)21-17(16)6-5-11-23-21/h5-11H,12-13H2,1-4H3
InChIKeyLPTRBJUEADXKDO-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.21
Rot. Bonds6

About 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine

1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine (PubChem CID 25378808) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
PubChem CID25378808
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(-c3ccc(C)s3)oc2C)c2cccnc12
InChIInChI=1S/C22H23N3O2S/c1-14-7-10-20(28-14)22-24-18(15(2)27-22)13-25(3)12-16-8-9-19(26-4)21-17(16)6-5-11-23-21/h5-11H,12-13H2,1-4H3
InChIKeyLPTRBJUEADXKDO-UHFFFAOYSA-N
XLogP5.21
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine (CID 25378808) is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine is COc1ccc(CN(C)Cc2nc(-c3ccc(C)s3)oc2C)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The InChIKey is LPTRBJUEADXKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-7-10-20(28-14)22-24-18(15(2)27-22)13-25(3)12-16-8-9-19(26-4)21-17(16)6-5-11-23-21/h5-11H,12-13H2,1-4H3.
What are the key properties of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine has a molecular weight of 393.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine is sourced from PubChem (CID 25378808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).