7-fluoro-1-(3-hydroxypropyl)quinolin-2-one

C12H12FNO2 — CID 118936660

IUPAC7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
SMILESO=c1ccc2ccc(F)cc2n1CCCO
InChIInChI=1S/C12H12FNO2/c13-10-4-2-9-3-5-12(16)14(6-1-7-15)11(9)8-10/h2-5,8,15H,1,6-7H2
InChIKeyZNMVVQAVHIIBKU-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.52
Rot. Bonds3

About 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one

7-fluoro-1-(3-hydroxypropyl)quinolin-2-one (PubChem CID 118936660) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
PubChem CID118936660
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
SMILESO=c1ccc2ccc(F)cc2n1CCCO
InChIInChI=1S/C12H12FNO2/c13-10-4-2-9-3-5-12(16)14(6-1-7-15)11(9)8-10/h2-5,8,15H,1,6-7H2
InChIKeyZNMVVQAVHIIBKU-UHFFFAOYSA-N
XLogP1.52
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one?
The IUPAC name of 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one (CID 118936660) is 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one.
What is the SMILES notation for 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one?
The canonical SMILES for 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one is O=c1ccc2ccc(F)cc2n1CCCO.
What is the InChIKey of 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one?
The InChIKey is ZNMVVQAVHIIBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-10-4-2-9-3-5-12(16)14(6-1-7-15)11(9)8-10/h2-5,8,15H,1,6-7H2.
What are the key properties of 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one?
7-fluoro-1-(3-hydroxypropyl)quinolin-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-hydroxypropyl)quinolin-2-one is sourced from PubChem (CID 118936660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).