4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one

C11H9ClFNO — CID 14624971

IUPAC4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
SMILESO=c1cc(CCCl)c2ccc(F)cc2[nH]1
InChIInChI=1S/C11H9ClFNO/c12-4-3-7-5-11(15)14-10-6-8(13)1-2-9(7)10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyBLZJVRZXDASPTC-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.45
Rot. Bonds2

About 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one

4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one (PubChem CID 14624971) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
PubChem CID14624971
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one
SMILESO=c1cc(CCCl)c2ccc(F)cc2[nH]1
InChIInChI=1S/C11H9ClFNO/c12-4-3-7-5-11(15)14-10-6-8(13)1-2-9(7)10/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyBLZJVRZXDASPTC-UHFFFAOYSA-N
XLogP2.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one (CID 14624971) is 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one is O=c1cc(CCCl)c2ccc(F)cc2[nH]1.
What is the InChIKey of 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one?
The InChIKey is BLZJVRZXDASPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-4-3-7-5-11(15)14-10-6-8(13)1-2-9(7)10/h1-2,5-6H,3-4H2,(H,14,15).
What are the key properties of 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one?
4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one has a molecular weight of 225.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 14624971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).