1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol

C25H26N2O3S — CID 168886716

IUPAC1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
SMILESCOc1ccc(C(C)N)cc1.COc1ccc2c(Oc3ccc(S)cc3)ccnc2c1
InChIInChI=1S/C16H13NO2S.C9H13NO/c1-18-12-4-7-14-15(10-12)17-9-8-16(14)19-11-2-5-13(20)6-3-11;1-7(10)8-3-5-9(11-2)6-4-8/h2-10,20H,1H3;3-7H,10H2,1-2H3
InChIKeyXDCIIURSTVNXTJ-UHFFFAOYSA-N
MW434.56 g/mol
LogP6.04
Rot. Bonds5

About 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol

1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol (PubChem CID 168886716) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
PubChem CID168886716
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
SMILESCOc1ccc(C(C)N)cc1.COc1ccc2c(Oc3ccc(S)cc3)ccnc2c1
InChIInChI=1S/C16H13NO2S.C9H13NO/c1-18-12-4-7-14-15(10-12)17-9-8-16(14)19-11-2-5-13(20)6-3-11;1-7(10)8-3-5-9(11-2)6-4-8/h2-10,20H,1H3;3-7H,10H2,1-2H3
InChIKeyXDCIIURSTVNXTJ-UHFFFAOYSA-N
XLogP6.04
TPSA66.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol 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

1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886754
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
CID 59730748
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
(2R)-1-[[N-[(1R)-1-(4-methoxyphenyl)ethyl]-S-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-2-ol
CID 168886681
7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine
CID 168886641
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
The IUPAC name of 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol (CID 168886716) is 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol.
What is the SMILES notation for 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
The canonical SMILES for 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol is COc1ccc(C(C)N)cc1.COc1ccc2c(Oc3ccc(S)cc3)ccnc2c1.
What is the InChIKey of 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
The InChIKey is XDCIIURSTVNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S.C9H13NO/c1-18-12-4-7-14-15(10-12)17-9-8-16(14)19-11-2-5-13(20)6-3-11;1-7(10)8-3-5-9(11-2)6-4-8/h2-10,20H,1H3;3-7H,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol?
1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol has a molecular weight of 434.56 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol is sourced from PubChem (CID 168886716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).