3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one

C14H16FNO — CID 170056160

IUPAC3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one
SMILESCCc1c(F)c2ccc(C(C)C)cc2[nH]c1=O
InChIInChI=1S/C14H16FNO/c1-4-10-13(15)11-6-5-9(8(2)3)7-12(11)16-14(10)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyVJHDDHYORYFION-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.35
Rot. Bonds2

About 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one

3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one (PubChem CID 170056160) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one
PubChem CID170056160
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one
SMILESCCc1c(F)c2ccc(C(C)C)cc2[nH]c1=O
InChIInChI=1S/C14H16FNO/c1-4-10-13(15)11-6-5-9(8(2)3)7-12(11)16-14(10)17/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyVJHDDHYORYFION-UHFFFAOYSA-N
XLogP3.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one (CID 170056160) is 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one is CCc1c(F)c2ccc(C(C)C)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one?
The InChIKey is VJHDDHYORYFION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-4-10-13(15)11-6-5-9(8(2)3)7-12(11)16-14(10)17/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one?
3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one has a molecular weight of 233.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 170056160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).