(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C10H12FNO — CID 164582997

IUPAC(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESC[C@@H]1CC[C@@H](F)c2[nH]ccc(=O)c21
InChIInChI=1S/C10H12FNO/c1-6-2-3-7(11)10-9(6)8(13)4-5-12-10/h4-7H,2-3H2,1H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyJIPRSLIUUWWPHG-RNFRBKRXSA-N
MW181.21 g/mol
LogP2.28
Rot. Bonds

About (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 164582997) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID164582997
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESC[C@@H]1CC[C@@H](F)c2[nH]ccc(=O)c21
InChIInChI=1S/C10H12FNO/c1-6-2-3-7(11)10-9(6)8(13)4-5-12-10/h4-7H,2-3H2,1H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyJIPRSLIUUWWPHG-RNFRBKRXSA-N
XLogP2.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 164582997) is (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is C[C@@H]1CC[C@@H](F)c2[nH]ccc(=O)c21.
What is the InChIKey of (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is JIPRSLIUUWWPHG-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-2-3-7(11)10-9(6)8(13)4-5-12-10/h4-7H,2-3H2,1H3,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 181.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 164582997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).