N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide

C16H13FN4O — CID 86703925

IUPACN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)cc(-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C16H13FN4O/c1-9(22)21-13-5-11(4-12(17)7-13)10-2-3-15-14(6-10)16(18)20-8-19-15/h2-8H,1H3,(H,21,22)(H2,18,19,20)
InChIKeyXTWHPMCAAZDGGT-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.98
Rot. Bonds2

About N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide

N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide (PubChem CID 86703925) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide
PubChem CID86703925
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(F)cc(-c2ccc3ncnc(N)c3c2)c1
InChIInChI=1S/C16H13FN4O/c1-9(22)21-13-5-11(4-12(17)7-13)10-2-3-15-14(6-10)16(18)20-8-19-15/h2-8H,1H3,(H,21,22)(H2,18,19,20)
InChIKeyXTWHPMCAAZDGGT-UHFFFAOYSA-N
XLogP2.98
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide?
The IUPAC name of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide (CID 86703925) is N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide?
The canonical SMILES for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide is CC(=O)Nc1cc(F)cc(-c2ccc3ncnc(N)c3c2)c1.
What is the InChIKey of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide?
The InChIKey is XTWHPMCAAZDGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-9(22)21-13-5-11(4-12(17)7-13)10-2-3-15-14(6-10)16(18)20-8-19-15/h2-8H,1H3,(H,21,22)(H2,18,19,20).
What are the key properties of N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide?
N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide has a molecular weight of 296.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]acetamide is sourced from PubChem (CID 86703925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).