1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea

C17H18N4O2S — CID 86790173

IUPAC1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCOc1ccnc2c(NC(=O)NCC(C)c3nccs3)cccc12
InChIInChI=1S/C17H18N4O2S/c1-11(16-19-8-9-24-16)10-20-17(22)21-13-5-3-4-12-14(23-2)6-7-18-15(12)13/h3-9,11H,10H2,1-2H3,(H2,20,21,22)
InChIKeyNHQHVMNAGKSNHZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea

1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 86790173) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID86790173
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCOc1ccnc2c(NC(=O)NCC(C)c3nccs3)cccc12
InChIInChI=1S/C17H18N4O2S/c1-11(16-19-8-9-24-16)10-20-17(22)21-13-5-3-4-12-14(23-2)6-7-18-15(12)13/h3-9,11H,10H2,1-2H3,(H2,20,21,22)
InChIKeyNHQHVMNAGKSNHZ-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

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Related Compounds

1-(8-methoxyquinolin-5-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505095
(4-methoxyquinolin-8-yl)carbamic acid
CID 155211747
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
N-(4-methoxyquinolin-8-yl)-4-methylsulfanylbutanamide
CID 75396693
1-(2-methyl-4-nitrophenyl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86804078
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505012
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790484
N-(4-methoxyquinolin-8-yl)-4-methyl-1,4-diazepane-1-carboxamide
CID 84597397

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea (CID 86790173) is 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea is COc1ccnc2c(NC(=O)NCC(C)c3nccs3)cccc12.
What is the InChIKey of 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is NHQHVMNAGKSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(16-19-8-9-24-16)10-20-17(22)21-13-5-3-4-12-14(23-2)6-7-18-15(12)13/h3-9,11H,10H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea?
1-(4-methoxyquinolin-8-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-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 86790173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).