8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one

C11H13FN2O — CID 105461666

IUPAC8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one
SMILESCCCC1NC(=O)Nc2c(F)cccc21
InChIInChI=1S/C11H13FN2O/c1-2-4-9-7-5-3-6-8(12)10(7)14-11(15)13-9/h3,5-6,9H,2,4H2,1H3,(H2,13,14,15)
InChIKeyGINZQJIIUVJXEM-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.80
Rot. Bonds2

About 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one

8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 105461666) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one
PubChem CID105461666
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one
SMILESCCCC1NC(=O)Nc2c(F)cccc21
InChIInChI=1S/C11H13FN2O/c1-2-4-9-7-5-3-6-8(12)10(7)14-11(15)13-9/h3,5-6,9H,2,4H2,1H3,(H2,13,14,15)
InChIKeyGINZQJIIUVJXEM-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one (CID 105461666) is 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one is CCCC1NC(=O)Nc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is GINZQJIIUVJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-2-4-9-7-5-3-6-8(12)10(7)14-11(15)13-9/h3,5-6,9H,2,4H2,1H3,(H2,13,14,15).
What are the key properties of 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one?
8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 208.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-propyl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 105461666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).