4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine

C24H28N2O2S — CID 71734201

IUPAC4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine
SMILESCCCOc1ccc(-c2cc(OCCN3CCSCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-14-27-20-9-7-19(8-10-20)23-18-24(21-5-3-4-6-22(21)25-23)28-15-11-26-12-16-29-17-13-26/h3-10,18H,2,11-17H2,1H3
InChIKeyQDXMTQLBYZNYSE-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.12
Rot. Bonds8

About 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine

4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine (PubChem CID 71734201) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine
PubChem CID71734201
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine
SMILESCCCOc1ccc(-c2cc(OCCN3CCSCC3)c3ccccc3n2)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-14-27-20-9-7-19(8-10-20)23-18-24(21-5-3-4-6-22(21)25-23)28-15-11-26-12-16-29-17-13-26/h3-10,18H,2,11-17H2,1H3
InChIKeyQDXMTQLBYZNYSE-UHFFFAOYSA-N
XLogP5.12
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

L 674573
CID 124437
2-(4-Methoxyphenyl)quinoline
CID 1481967
2-Methyl-5-[2-[4-[[3-(1-methylpiperidin-4-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 9957376
4-Methyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
CID 10114480
2-Methyl-5-[2-[4-[(3-piperidin-1-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127424
2-Methyl-5-[2-[4-[[3-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10127877
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10173263
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propane-2-sulfonamide
CID 10174199
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
CID 10194809
N-methyl-N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 10194820
2-Methyl-5-[2-[4-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10195275
N-(3-{4-[2-(2-Methylquinolin-5-yloxy)ethyl]piperazin-1-ylmethyl}phenyl)-acetamide
CID 10237964

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine?
The IUPAC name of 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine (CID 71734201) is 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine.
What is the SMILES notation for 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine?
The canonical SMILES for 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine is CCCOc1ccc(-c2cc(OCCN3CCSCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine?
The InChIKey is QDXMTQLBYZNYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-2-14-27-20-9-7-19(8-10-20)23-18-24(21-5-3-4-6-22(21)25-23)28-15-11-26-12-16-29-17-13-26/h3-10,18H,2,11-17H2,1H3.
What are the key properties of 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine?
4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine has a molecular weight of 408.57 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethyl]thiomorpholine is sourced from PubChem (CID 71734201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).