1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea

C24H27N3OS — CID 100773086

IUPAC1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
SMILESCOc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c2cccnc12
InChIInChI=1S/C24H27N3OS/c1-28-21-12-11-20(19-10-7-17-25-22(19)21)26-23(29)27-24(14-5-6-15-24)16-13-18-8-3-2-4-9-18/h2-4,7-12,17H,5-6,13-16H2,1H3,(H2,26,27,29)
InChIKeyHYWJGPLQROJHHT-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.48
Rot. Bonds6

About 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea

1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea (PubChem CID 100773086) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
PubChem CID100773086
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
SMILESCOc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c2cccnc12
InChIInChI=1S/C24H27N3OS/c1-28-21-12-11-20(19-10-7-17-25-22(19)21)26-23(29)27-24(14-5-6-15-24)16-13-18-8-3-2-4-9-18/h2-4,7-12,17H,5-6,13-16H2,1H3,(H2,26,27,29)
InChIKeyHYWJGPLQROJHHT-UHFFFAOYSA-N
XLogP5.48
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100773012
1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea
CID 100584118
1-(8-methoxyquinolin-5-yl)-3-(pyridin-3-ylmethyl)thiourea
CID 100596129
1-(2,4-dimethylphenyl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
CID 100764895
1-[3-(dimethylamino)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100618098
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
1-(3,4-dimethylphenyl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
CID 100765224
1-[2-(2-chlorophenoxy)ethyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100750159
1-(furan-2-ylmethyl)-3-(8-methoxyquinolin-5-yl)thiourea
CID 100592474
1-(8-methoxyquinolin-5-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]thiourea
CID 100744577
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100734726
1-(8-methoxyquinolin-5-yl)-3-[3-(4-methylphenyl)sulfanylpropyl]thiourea
CID 100689105

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea (CID 100773086) is 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea is COc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea?
The InChIKey is HYWJGPLQROJHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-28-21-12-11-20(19-10-7-17-25-22(19)21)26-23(29)27-24(14-5-6-15-24)16-13-18-8-3-2-4-9-18/h2-4,7-12,17H,5-6,13-16H2,1H3,(H2,26,27,29).
What are the key properties of 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea?
1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea has a molecular weight of 405.57 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxyquinolin-5-yl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea is sourced from PubChem (CID 100773086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).