(3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one

C9H8FNO2 — CID 102440462

IUPAC(3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2cc(F)ccc2C[C@H]1O
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-2,4,8,12H,3H2,(H,11,13)/t8-/m1/s1
InChIKeyYGZHXCZLQODGJO-MRVPVSSYSA-N
MW181.17 g/mol
LogP0.68
Rot. Bonds

About (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one

(3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 102440462) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID102440462
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name(3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2cc(F)ccc2C[C@H]1O
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-2,4,8,12H,3H2,(H,11,13)/t8-/m1/s1
InChIKeyYGZHXCZLQODGJO-MRVPVSSYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 102440462) is (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2cc(F)ccc2C[C@H]1O.
What is the InChIKey of (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YGZHXCZLQODGJO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-2,4,8,12H,3H2,(H,11,13)/t8-/m1/s1.
What are the key properties of (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one?
(3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 181.17 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-fluoro-3-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 102440462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).