1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea

C22H20N4O3S — CID 88925602

IUPAC1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2nccc(Oc3ccc(N(C)C(=O)Nc4nccs4)cc3)c2cc1C
InChIInChI=1S/C22H20N4O3S/c1-14-12-17-18(13-20(14)28-3)23-9-8-19(17)29-16-6-4-15(5-7-16)26(2)22(27)25-21-24-10-11-30-21/h4-13H,1-3H3,(H,24,25,27)
InChIKeyAUOHAOQBTUBKRU-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.47
Rot. Bonds5

About 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea

1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea (PubChem CID 88925602) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
PubChem CID88925602
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2nccc(Oc3ccc(N(C)C(=O)Nc4nccs4)cc3)c2cc1C
InChIInChI=1S/C22H20N4O3S/c1-14-12-17-18(13-20(14)28-3)23-9-8-19(17)29-16-6-4-15(5-7-16)26(2)22(27)25-21-24-10-11-30-21/h4-13H,1-3H3,(H,24,25,27)
InChIKeyAUOHAOQBTUBKRU-UHFFFAOYSA-N
XLogP5.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 88925883
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
1-[4-[6-(aminomethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylurea
CID 58931193
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-[4-[7-(3-chloropropoxy)-6-methylquinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 58674850
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea (CID 88925602) is 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea is COc1cc2nccc(Oc3ccc(N(C)C(=O)Nc4nccs4)cc3)c2cc1C.
What is the InChIKey of 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is AUOHAOQBTUBKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-12-17-18(13-20(14)28-3)23-9-8-19(17)29-16-6-4-15(5-7-16)26(2)22(27)25-21-24-10-11-30-21/h4-13H,1-3H3,(H,24,25,27).
What are the key properties of 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea?
1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 420.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 88925602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).