1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea

C14H17N3O2S — CID 100584118

IUPAC1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea
SMILESCOCCNC(=S)Nc1ccc(OC)c2ncccc12
InChIInChI=1S/C14H17N3O2S/c1-18-9-8-16-14(20)17-11-5-6-12(19-2)13-10(11)4-3-7-15-13/h3-7H,8-9H2,1-2H3,(H2,16,17,20)
InChIKeyBFXHAWQSOHWSDT-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.18
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea

1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea (PubChem CID 100584118) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea
PubChem CID100584118
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea
SMILESCOCCNC(=S)Nc1ccc(OC)c2ncccc12
InChIInChI=1S/C14H17N3O2S/c1-18-9-8-16-14(20)17-11-5-6-12(19-2)13-10(11)4-3-7-15-13/h3-7H,8-9H2,1-2H3,(H2,16,17,20)
InChIKeyBFXHAWQSOHWSDT-UHFFFAOYSA-N
XLogP2.18
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100750159
1-[3-(dimethylamino)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100618098
1-(8-methoxyquinolin-5-yl)-3-(pyridin-3-ylmethyl)thiourea
CID 100596129
1-(8-methoxyquinolin-5-yl)-3-[3-(4-methylphenyl)sulfanylpropyl]thiourea
CID 100689105
1-(furan-2-ylmethyl)-3-(8-methoxyquinolin-5-yl)thiourea
CID 100592474
4-methoxy-N-(8-methoxyquinolin-5-yl)butanamide
CID 47383104
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100734726
1-(8-methoxyquinolin-5-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]thiourea
CID 100744577
1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
CID 100773086
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100761155
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea (CID 100584118) is 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea is COCCNC(=S)Nc1ccc(OC)c2ncccc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea?
The InChIKey is BFXHAWQSOHWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-18-9-8-16-14(20)17-11-5-6-12(19-2)13-10(11)4-3-7-15-13/h3-7H,8-9H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea?
1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea has a molecular weight of 291.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea is sourced from PubChem (CID 100584118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).