4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol

C21H19FN4O3S — CID 15886044

IUPAC4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1csc(C)n1
InChIInChI=1S/C21H19FN4O3S/c1-11-4-15(22)17(6-18(11)27)26-21-14-5-19(28-3)20(7-16(14)23-10-24-21)29-8-13-9-30-12(2)25-13/h4-7,9-10,27H,8H2,1-3H3,(H,23,24,26)
InChIKeyZDWDFIQBGAIFRT-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.88
Rot. Bonds6

About 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol

4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol (PubChem CID 15886044) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol.

Molecular Properties

Compound Name4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
PubChem CID15886044
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1csc(C)n1
InChIInChI=1S/C21H19FN4O3S/c1-11-4-15(22)17(6-18(11)27)26-21-14-5-19(28-3)20(7-16(14)23-10-24-21)29-8-13-9-30-12(2)25-13/h4-7,9-10,27H,8H2,1-3H3,(H,23,24,26)
InChIKeyZDWDFIQBGAIFRT-UHFFFAOYSA-N
XLogP4.88
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The IUPAC name of 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol (CID 15886044) is 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol.
What is the SMILES notation for 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The canonical SMILES for 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol is COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1csc(C)n1.
What is the InChIKey of 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The InChIKey is ZDWDFIQBGAIFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-11-4-15(22)17(6-18(11)27)26-21-14-5-19(28-3)20(7-16(14)23-10-24-21)29-8-13-9-30-12(2)25-13/h4-7,9-10,27H,8H2,1-3H3,(H,23,24,26).
What are the key properties of 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol has a molecular weight of 426.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol is sourced from PubChem (CID 15886044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).