(4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one

C15H15FN2O2 — CID 162787699

IUPAC(4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@H](C(=O)N2CC=CCC2)c2cc(F)ccc2N1
InChIInChI=1S/C15H15FN2O2/c16-10-4-5-13-11(8-10)12(9-14(19)17-13)15(20)18-6-2-1-3-7-18/h1-2,4-5,8,12H,3,6-7,9H2,(H,17,19)/t12-/m0/s1
InChIKeyZQDYWCGZVRLFKT-LBPRGKRZSA-N
MW274.29 g/mol
LogP2.04
Rot. Bonds1

About (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 162787699) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID162787699
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name(4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@H](C(=O)N2CC=CCC2)c2cc(F)ccc2N1
InChIInChI=1S/C15H15FN2O2/c16-10-4-5-13-11(8-10)12(9-14(19)17-13)15(20)18-6-2-1-3-7-18/h1-2,4-5,8,12H,3,6-7,9H2,(H,17,19)/t12-/m0/s1
InChIKeyZQDYWCGZVRLFKT-LBPRGKRZSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 162787699) is (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@H](C(=O)N2CC=CCC2)c2cc(F)ccc2N1.
What is the InChIKey of (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZQDYWCGZVRLFKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-10-4-5-13-11(8-10)12(9-14(19)17-13)15(20)18-6-2-1-3-7-18/h1-2,4-5,8,12H,3,6-7,9H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 162787699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).