6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline

C29H28N4O2S — CID 46085082

IUPAC6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline
SMILESCCOc1ccc2nc(-c3ccc(OC)cc3)cc(-c3nnc(SCc4cccc(C)c4)n3C)c2c1
InChIInChI=1S/C29H28N4O2S/c1-5-35-23-13-14-26-24(16-23)25(17-27(30-26)21-9-11-22(34-4)12-10-21)28-31-32-29(33(28)3)36-18-20-8-6-7-19(2)15-20/h6-17H,5,18H2,1-4H3
InChIKeyGYIGILXNYVKJOL-UHFFFAOYSA-N
MW496.64 g/mol
LogP6.71
Rot. Bonds8

About 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline

6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline (PubChem CID 46085082) has the molecular formula C29H28N4O2S and a molecular weight of 496.64 g/mol. Its IUPAC name is 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline.

Molecular Properties

Compound Name6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline
PubChem CID46085082
Molecular FormulaC29H28N4O2S
Molecular Weight496.64 g/mol
Exact Mass496.19
IUPAC Name6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline
SMILESCCOc1ccc2nc(-c3ccc(OC)cc3)cc(-c3nnc(SCc4cccc(C)c4)n3C)c2c1
InChIInChI=1S/C29H28N4O2S/c1-5-35-23-13-14-26-24(16-23)25(17-27(30-26)21-9-11-22(34-4)12-10-21)28-31-32-29(33(28)3)36-18-20-8-6-7-19(2)15-20/h6-17H,5,18H2,1-4H3
InChIKeyGYIGILXNYVKJOL-UHFFFAOYSA-N
XLogP6.71
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.64
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[5-[6-ethoxy-2-(4-methoxyphenyl)quinolin-4-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 46085158
6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(2,3,6-trifluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline
CID 46085223
3-(3,4-dimethoxyphenyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 17301777
4-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylquinoline
CID 19727255
methyl 3-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 7813079
3-(3-ethoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 3818982
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
3-(2-chlorophenyl)-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 2040030
3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1104186
3-[(3-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-(3-methylphenyl)-1,2,4-triazole
CID 42799441
6-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 896205
3-(4-tert-butylphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 5124873

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline?
The IUPAC name of 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline (CID 46085082) is 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline.
What is the SMILES notation for 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline?
The canonical SMILES for 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline is CCOc1ccc2nc(-c3ccc(OC)cc3)cc(-c3nnc(SCc4cccc(C)c4)n3C)c2c1.
What is the InChIKey of 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline?
The InChIKey is GYIGILXNYVKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2S/c1-5-35-23-13-14-26-24(16-23)25(17-27(30-26)21-9-11-22(34-4)12-10-21)28-31-32-29(33(28)3)36-18-20-8-6-7-19(2)15-20/h6-17H,5,18H2,1-4H3.
What are the key properties of 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline?
6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline has a molecular weight of 496.64 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(4-methoxyphenyl)-4-[4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]quinoline is sourced from PubChem (CID 46085082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).