4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol

C17H16FN3O2 — CID 166626472

IUPAC4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(OC)c2nc(N)ncc2c1
InChIInChI=1S/C17H16FN3O2/c1-3-9-5-14(22)13(18)7-12(9)10-4-11-8-20-17(19)21-16(11)15(6-10)23-2/h4-8,22H,3H2,1-2H3,(H2,19,20,21)
InChIKeyZFKROQGJBISIGH-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.29
Rot. Bonds3

About 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol

4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol (PubChem CID 166626472) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol.

Molecular Properties

Compound Name4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol
PubChem CID166626472
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(OC)c2nc(N)ncc2c1
InChIInChI=1S/C17H16FN3O2/c1-3-9-5-14(22)13(18)7-12(9)10-4-11-8-20-17(19)21-16(11)15(6-10)23-2/h4-8,22H,3H2,1-2H3,(H2,19,20,21)
InChIKeyZFKROQGJBISIGH-UHFFFAOYSA-N
XLogP3.29
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol?
The IUPAC name of 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol (CID 166626472) is 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol.
What is the SMILES notation for 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol?
The canonical SMILES for 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol is CCc1cc(O)c(F)cc1-c1cc(OC)c2nc(N)ncc2c1.
What is the InChIKey of 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol?
The InChIKey is ZFKROQGJBISIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-3-9-5-14(22)13(18)7-12(9)10-4-11-8-20-17(19)21-16(11)15(6-10)23-2/h4-8,22H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol?
4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol has a molecular weight of 313.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-8-methoxyquinazolin-6-yl)-5-ethyl-2-fluorophenol is sourced from PubChem (CID 166626472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).