(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one

C11H14FNO — CID 164583505

IUPAC(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCC[C@H]1CC[C@H](F)c2[nH]ccc(=O)c21
InChIInChI=1S/C11H14FNO/c1-2-7-3-4-8(12)11-10(7)9(14)5-6-13-11/h5-8H,2-4H2,1H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyRVZHFYDPVVZSPW-YUMQZZPRSA-N
MW195.24 g/mol
LogP2.67
Rot. Bonds1

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

(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 164583505) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID164583505
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCC[C@H]1CC[C@H](F)c2[nH]ccc(=O)c21
InChIInChI=1S/C11H14FNO/c1-2-7-3-4-8(12)11-10(7)9(14)5-6-13-11/h5-8H,2-4H2,1H3,(H,13,14)/t7-,8-/m0/s1
InChIKeyRVZHFYDPVVZSPW-YUMQZZPRSA-N
XLogP2.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 164583505) is (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one is CC[C@H]1CC[C@H](F)c2[nH]ccc(=O)c21.
What is the InChIKey of (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is RVZHFYDPVVZSPW-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-7-3-4-8(12)11-10(7)9(14)5-6-13-11/h5-8H,2-4H2,1H3,(H,13,14)/t7-,8-/m0/s1.
What are the key properties of (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one?
(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 195.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 164583505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).