1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea

C23H25N3OS — CID 100773012

IUPAC1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c2cccnc12
InChIInChI=1S/C23H25N3OS/c1-16-7-9-17(10-8-16)23(13-3-4-14-23)26-22(28)25-19-11-12-20(27-2)21-18(19)6-5-15-24-21/h5-12,15H,3-4,13-14H2,1-2H3,(H2,25,26,28)
InChIKeySAIXGSVIWYKXSL-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.31
Rot. Bonds4

About 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea

1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea (PubChem CID 100773012) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
PubChem CID100773012
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
SMILESCOc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c2cccnc12
InChIInChI=1S/C23H25N3OS/c1-16-7-9-17(10-8-16)23(13-3-4-14-23)26-22(28)25-19-11-12-20(27-2)21-18(19)6-5-15-24-21/h5-12,15H,3-4,13-14H2,1-2H3,(H2,25,26,28)
InChIKeySAIXGSVIWYKXSL-UHFFFAOYSA-N
XLogP5.31
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.31
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-(2-phenylethyl)cyclopentyl]thiourea
CID 100773086
1-(8-methoxyquinolin-5-yl)-3-[3-(4-methylphenyl)sulfanylpropyl]thiourea
CID 100689105
1-(2-methoxyethyl)-3-(8-methoxyquinolin-5-yl)thiourea
CID 100584118
1-(3-methoxy-2-pyridinyl)-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100772660
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
1-(2,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]thiourea
CID 100766554
1-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100747195
1-[1-(2,4-dimethylphenyl)-2-methylpropyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 133218234
1-(8-methoxyquinolin-5-yl)-3-[(1R)-1-(2-methylphenyl)ethyl]thiourea
CID 100744577
1-[(1S)-1-(2,4-dimethylphenyl)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100733406
1-(8-methoxyquinolin-5-yl)-3-(pyridin-3-ylmethyl)thiourea
CID 100596129
1-[3-(dimethylamino)propyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100618098

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea (CID 100773012) is 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea is COc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea?
The InChIKey is SAIXGSVIWYKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-16-7-9-17(10-8-16)23(13-3-4-14-23)26-22(28)25-19-11-12-20(27-2)21-18(19)6-5-15-24-21/h5-12,15H,3-4,13-14H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea?
1-(8-methoxyquinolin-5-yl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea has a molecular weight of 391.54 g/mol, XLogP of 5.31, 4 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-(4-methylphenyl)cyclopentyl]thiourea is sourced from PubChem (CID 100773012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).