8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine

C21H18FN5O — CID 71180805

IUPAC8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine
SMILESCCOc1cc(-c2ccccc2F)cc2c(NC)nc(-c3ccnnc3)nc12
InChIInChI=1S/C21H18FN5O/c1-3-28-18-11-14(15-6-4-5-7-17(15)22)10-16-19(18)26-20(27-21(16)23-2)13-8-9-24-25-12-13/h4-12H,3H2,1-2H3,(H,23,26,27)
InChIKeyFYUSVEMUOPWGDJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.33
Rot. Bonds5

About 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine

8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine (PubChem CID 71180805) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine
PubChem CID71180805
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine
SMILESCCOc1cc(-c2ccccc2F)cc2c(NC)nc(-c3ccnnc3)nc12
InChIInChI=1S/C21H18FN5O/c1-3-28-18-11-14(15-6-4-5-7-17(15)22)10-16-19(18)26-20(27-21(16)23-2)13-8-9-24-25-12-13/h4-12H,3H2,1-2H3,(H,23,26,27)
InChIKeyFYUSVEMUOPWGDJ-UHFFFAOYSA-N
XLogP4.33
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine?
The IUPAC name of 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine (CID 71180805) is 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine.
What is the SMILES notation for 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine?
The canonical SMILES for 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine is CCOc1cc(-c2ccccc2F)cc2c(NC)nc(-c3ccnnc3)nc12.
What is the InChIKey of 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine?
The InChIKey is FYUSVEMUOPWGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-3-28-18-11-14(15-6-4-5-7-17(15)22)10-16-19(18)26-20(27-21(16)23-2)13-8-9-24-25-12-13/h4-12H,3H2,1-2H3,(H,23,26,27).
What are the key properties of 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine?
8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine has a molecular weight of 375.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-6-(2-fluorophenyl)-N-methyl-2-pyridazin-4-ylquinazolin-4-amine is sourced from PubChem (CID 71180805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).