8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one

C11H12FN3O — CID 105477204

IUPAC8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one
SMILESCNCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C11H12FN3O/c1-13-6-5-9-7-3-2-4-8(12)10(7)15-11(16)14-9/h2-4,13H,5-6H2,1H3,(H,14,15,16)
InChIKeyXMQYMQJVLZLOJG-UHFFFAOYSA-N
MW221.23 g/mol
LogP0.82
Rot. Bonds3

About 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one

8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one (PubChem CID 105477204) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one.

Molecular Properties

Compound Name8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one
PubChem CID105477204
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one
SMILESCNCCc1[nH]c(=O)nc2c(F)cccc12
InChIInChI=1S/C11H12FN3O/c1-13-6-5-9-7-3-2-4-8(12)10(7)15-11(16)14-9/h2-4,13H,5-6H2,1H3,(H,14,15,16)
InChIKeyXMQYMQJVLZLOJG-UHFFFAOYSA-N
XLogP0.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one?
The IUPAC name of 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one (CID 105477204) is 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one.
What is the SMILES notation for 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one?
The canonical SMILES for 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one is CNCCc1[nH]c(=O)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one?
The InChIKey is XMQYMQJVLZLOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-13-6-5-9-7-3-2-4-8(12)10(7)15-11(16)14-9/h2-4,13H,5-6H2,1H3,(H,14,15,16).
What are the key properties of 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one?
8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one has a molecular weight of 221.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-[2-(methylamino)ethyl]-3H-quinazolin-2-one is sourced from PubChem (CID 105477204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).