3-amino-7-fluoro-2-pentylquinazolin-4-one

C13H16FN3O — CID 162716107

IUPAC3-amino-7-fluoro-2-pentylquinazolin-4-one
SMILESCCCCCc1nc2cc(F)ccc2c(=O)n1N
InChIInChI=1S/C13H16FN3O/c1-2-3-4-5-12-16-11-8-9(14)6-7-10(11)13(18)17(12)15/h6-8H,2-5,15H2,1H3
InChIKeyRIEZONHVRHHQHH-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-7-fluoro-2-pentylquinazolin-4-one

3-amino-7-fluoro-2-pentylquinazolin-4-one (PubChem CID 162716107) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-amino-7-fluoro-2-pentylquinazolin-4-one.

Molecular Properties

Compound Name3-amino-7-fluoro-2-pentylquinazolin-4-one
PubChem CID162716107
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-amino-7-fluoro-2-pentylquinazolin-4-one
SMILESCCCCCc1nc2cc(F)ccc2c(=O)n1N
InChIInChI=1S/C13H16FN3O/c1-2-3-4-5-12-16-11-8-9(14)6-7-10(11)13(18)17(12)15/h6-8H,2-5,15H2,1H3
InChIKeyRIEZONHVRHHQHH-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-fluoro-2-pentylquinazolin-4-one?
The IUPAC name of 3-amino-7-fluoro-2-pentylquinazolin-4-one (CID 162716107) is 3-amino-7-fluoro-2-pentylquinazolin-4-one.
What is the SMILES notation for 3-amino-7-fluoro-2-pentylquinazolin-4-one?
The canonical SMILES for 3-amino-7-fluoro-2-pentylquinazolin-4-one is CCCCCc1nc2cc(F)ccc2c(=O)n1N.
What is the InChIKey of 3-amino-7-fluoro-2-pentylquinazolin-4-one?
The InChIKey is RIEZONHVRHHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-3-4-5-12-16-11-8-9(14)6-7-10(11)13(18)17(12)15/h6-8H,2-5,15H2,1H3.
What are the key properties of 3-amino-7-fluoro-2-pentylquinazolin-4-one?
3-amino-7-fluoro-2-pentylquinazolin-4-one has a molecular weight of 249.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-fluoro-2-pentylquinazolin-4-one is sourced from PubChem (CID 162716107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).