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

C24H25N3O2S — CID 25479030

IUPAC1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(-c3ccc(SC)cc3)oc2C)c2cccnc12
InChIInChI=1S/C24H25N3O2S/c1-16-21(26-24(29-16)17-7-10-19(30-4)11-8-17)15-27(2)14-18-9-12-22(28-3)23-20(18)6-5-13-25-23/h5-13H,14-15H2,1-4H3
InChIKeyQRJOAMDLPAMFLB-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.56
Rot. Bonds7

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

1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine (PubChem CID 25479030) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
PubChem CID25479030
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CN(C)Cc2nc(-c3ccc(SC)cc3)oc2C)c2cccnc12
InChIInChI=1S/C24H25N3O2S/c1-16-21(26-24(29-16)17-7-10-19(30-4)11-8-17)15-27(2)14-18-9-12-22(28-3)23-20(18)6-5-13-25-23/h5-13H,14-15H2,1-4H3
InChIKeyQRJOAMDLPAMFLB-UHFFFAOYSA-N
XLogP5.56
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine with MolForge

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Related Compounds

1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56860557
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 26405916
1-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56870982
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine
CID 42567777
2-ethyl-N-[(8-methoxyquinolin-5-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 77089417
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25281519
3-[(8-methoxyquinolin-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 91828636
3-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 56745585
N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 55543480
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
CID 42189865
N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine
CID 42156732
N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45174340

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine (CID 25479030) is 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine is COc1ccc(CN(C)Cc2nc(-c3ccc(SC)cc3)oc2C)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The InChIKey is QRJOAMDLPAMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-16-21(26-24(29-16)17-7-10-19(30-4)11-8-17)15-27(2)14-18-9-12-22(28-3)23-20(18)6-5-13-25-23/h5-13H,14-15H2,1-4H3.
What are the key properties of 1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
1-(8-methoxyquinolin-5-yl)-N-methyl-N-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine has a molecular weight of 419.55 g/mol, XLogP of 5.56, 7 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-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]methanamine is sourced from PubChem (CID 25479030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).