1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea

C20H28N4O2S — CID 3379237

IUPAC1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea
SMILESCCOCCCNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C20H28N4O2S/c1-3-25-10-4-7-21-20(27)22-16-5-6-18-17(14-16)15(2)13-19(23-18)24-8-11-26-12-9-24/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,21,22,27)
InChIKeyADFKBYCKZCSUQJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.09
Rot. Bonds7

About 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea

1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea (PubChem CID 3379237) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea
PubChem CID3379237
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea
SMILESCCOCCCNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
InChIInChI=1S/C20H28N4O2S/c1-3-25-10-4-7-21-20(27)22-16-5-6-18-17(14-16)15(2)13-19(23-18)24-8-11-26-12-9-24/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,21,22,27)
InChIKeyADFKBYCKZCSUQJ-UHFFFAOYSA-N
XLogP3.09
TPSA58.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea (CID 3379237) is 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea is CCOCCCNC(=S)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea?
The InChIKey is ADFKBYCKZCSUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-3-25-10-4-7-21-20(27)22-16-5-6-18-17(14-16)15(2)13-19(23-18)24-8-11-26-12-9-24/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,21,22,27).
What are the key properties of 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea?
1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea has a molecular weight of 388.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea is sourced from PubChem (CID 3379237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).