1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea

C17H18N4O2S — CID 75505095

IUPAC1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)c2nccs2)c2cccnc12
InChIInChI=1S/C17H18N4O2S/c1-11(16-19-8-9-24-16)10-20-17(22)21-13-5-6-14(23-2)15-12(13)4-3-7-18-15/h3-9,11H,10H2,1-2H3,(H2,20,21,22)
InChIKeyNOMQUVIXFSBDRE-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.63
Rot. Bonds5

About 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea

1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 75505095) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID75505095
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCC(C)c2nccs2)c2cccnc12
InChIInChI=1S/C17H18N4O2S/c1-11(16-19-8-9-24-16)10-20-17(22)21-13-5-6-14(23-2)15-12(13)4-3-7-18-15/h3-9,11H,10H2,1-2H3,(H2,20,21,22)
InChIKeyNOMQUVIXFSBDRE-UHFFFAOYSA-N
XLogP3.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea with MolForge

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Related Compounds

1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790173
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
N-(8-methoxyquinolin-5-yl)-2-propan-2-ylsulfonylacetamide
CID 86835306
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
1-(2-methyl-4-nitrophenyl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86804078
4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122078078
4-methoxy-N-(8-methoxyquinolin-5-yl)butanamide
CID 47383104
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea (CID 75505095) is 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea is COc1ccc(NC(=O)NCC(C)c2nccs2)c2cccnc12.
What is the InChIKey of 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is NOMQUVIXFSBDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(16-19-8-9-24-16)10-20-17(22)21-13-5-6-14(23-2)15-12(13)4-3-7-18-15/h3-9,11H,10H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 342.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75505095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).