1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea

C21H15N5O3S — CID 87308076

IUPAC1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4nccs4)cc3)c2cc1C#N
InChIInChI=1S/C21H15N5O3S/c1-28-19-11-17-16(10-13(19)12-22)18(6-7-23-17)29-15-4-2-14(3-5-15)25-20(27)26-21-24-8-9-30-21/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyRGEXJCDHBXMKLF-UHFFFAOYSA-N
MW417.45 g/mol
LogP5.01
Rot. Bonds5

About 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea

1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 87308076) has the molecular formula C21H15N5O3S and a molecular weight of 417.45 g/mol. Its IUPAC name is 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID87308076
Molecular FormulaC21H15N5O3S
Molecular Weight417.45 g/mol
Exact Mass417.09
IUPAC Name1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4nccs4)cc3)c2cc1C#N
InChIInChI=1S/C21H15N5O3S/c1-28-19-11-17-16(10-13(19)12-22)18(6-7-23-17)29-15-4-2-14(3-5-15)25-20(27)26-21-24-8-9-30-21/h2-11H,1H3,(H2,24,25,26,27)
InChIKeyRGEXJCDHBXMKLF-UHFFFAOYSA-N
XLogP5.01
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(6-cyanoquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 141052131
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
1-[4-[6-cyano-7-(2-hydroperoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 89337862
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22936843
sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate
CID 23711331
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-methylurea
CID 23084603
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
CID 22936280
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(cyclopropylmethyl)urea
CID 10137662
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (CID 87308076) is 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4nccs4)cc3)c2cc1C#N.
What is the InChIKey of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is RGEXJCDHBXMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O3S/c1-28-19-11-17-16(10-13(19)12-22)18(6-7-23-17)29-15-4-2-14(3-5-15)25-20(27)26-21-24-8-9-30-21/h2-11H,1H3,(H2,24,25,26,27).
What are the key properties of 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 417.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87308076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).