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

C21H17ClN4O3S — CID 88925883

IUPAC1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4nccs4)c(Cl)c3)c2cc1C
InChIInChI=1S/C21H17ClN4O3S/c1-12-9-14-17(11-19(12)28-2)23-6-5-18(14)29-13-3-4-16(15(22)10-13)25-20(27)26-21-24-7-8-30-21/h3-11H,1-2H3,(H2,24,25,26,27)
InChIKeyMOIFAHUXQCFXPX-UHFFFAOYSA-N
MW440.91 g/mol
LogP6.10
Rot. Bonds5

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

1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 88925883) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID88925883
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4nccs4)c(Cl)c3)c2cc1C
InChIInChI=1S/C21H17ClN4O3S/c1-12-9-14-17(11-19(12)28-2)23-6-5-18(14)29-13-3-4-16(15(22)10-13)25-20(27)26-21-24-7-8-30-21/h3-11H,1-2H3,(H2,24,25,26,27)
InChIKeyMOIFAHUXQCFXPX-UHFFFAOYSA-N
XLogP6.10
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.91
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 88925602
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 23118598
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 159385816
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;methanesulfonic acid
CID 86603570
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684
1-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 90349736
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 56603459
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (CID 88925883) is 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4nccs4)c(Cl)c3)c2cc1C.
What is the InChIKey of 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is MOIFAHUXQCFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-12-9-14-17(11-19(12)28-2)23-6-5-18(14)29-13-3-4-16(15(22)10-13)25-20(27)26-21-24-7-8-30-21/h3-11H,1-2H3,(H2,24,25,26,27).
What are the key properties of 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 440.91 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 88925883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).