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

C20H18FN5O4 — CID 118111994

IUPAC4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1noc(C)n1
InChIInChI=1S/C20H18FN5O4/c1-10-15(27)5-4-13(21)19(10)25-20-12-6-16(28-3)17(7-14(12)22-9-23-20)29-8-18-24-11(2)30-26-18/h4-7,9,27H,8H2,1-3H3,(H,22,23,25)
InChIKeyRDOXFGHLLUYIIL-UHFFFAOYSA-N
MW411.39 g/mol
LogP3.81
Rot. Bonds6

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

4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol (PubChem CID 118111994) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol.

Molecular Properties

Compound Name4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
PubChem CID118111994
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol
SMILESCOc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1noc(C)n1
InChIInChI=1S/C20H18FN5O4/c1-10-15(27)5-4-13(21)19(10)25-20-12-6-16(28-3)17(7-14(12)22-9-23-20)29-8-18-24-11(2)30-26-18/h4-7,9,27H,8H2,1-3H3,(H,22,23,25)
InChIKeyRDOXFGHLLUYIIL-UHFFFAOYSA-N
XLogP3.81
TPSA115.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The IUPAC name of 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol (CID 118111994) is 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol.
What is the SMILES notation for 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The canonical SMILES for 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol is COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCc1noc(C)n1.
What is the InChIKey of 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
The InChIKey is RDOXFGHLLUYIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-10-15(27)5-4-13(21)19(10)25-20-12-6-16(28-3)17(7-14(12)22-9-23-20)29-8-18-24-11(2)30-26-18/h4-7,9,27H,8H2,1-3H3,(H,22,23,25).
What are the key properties of 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol?
4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol has a molecular weight of 411.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[6-methoxy-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol is sourced from PubChem (CID 118111994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).