7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one

C12H14FNO2 — CID 61080891

IUPAC7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C12H14FNO2/c1-2-11(15)8-5-7-3-4-12(16)14-10(7)6-9(8)13/h5-6,11,15H,2-4H2,1H3,(H,14,16)
InChIKeyDMZYQQMGAKFIOJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.15
Rot. Bonds2

About 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61080891) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61080891
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C12H14FNO2/c1-2-11(15)8-5-7-3-4-12(16)14-10(7)6-9(8)13/h5-6,11,15H,2-4H2,1H3,(H,14,16)
InChIKeyDMZYQQMGAKFIOJ-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one (CID 61080891) is 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one is CCC(O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DMZYQQMGAKFIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-11(15)8-5-7-3-4-12(16)14-10(7)6-9(8)13/h5-6,11,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61080891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).