(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one

C13H14ClNO2 — CID 59465621

IUPAC(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one
SMILESO=C1OCC[C@@H]1N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO2/c14-10-3-4-11-9(8-10)2-1-6-15(11)12-5-7-17-13(12)16/h3-4,8,12H,1-2,5-7H2/t12-/m0/s1
InChIKeyNQEUCZBHGAFVAZ-LBPRGKRZSA-N
MW251.71 g/mol
LogP2.41
Rot. Bonds1

About (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one

(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one (PubChem CID 59465621) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one
PubChem CID59465621
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one
SMILESO=C1OCC[C@@H]1N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO2/c14-10-3-4-11-9(8-10)2-1-6-15(11)12-5-7-17-13(12)16/h3-4,8,12H,1-2,5-7H2/t12-/m0/s1
InChIKeyNQEUCZBHGAFVAZ-LBPRGKRZSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one?
The IUPAC name of (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one (CID 59465621) is (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one.
What is the SMILES notation for (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one?
The canonical SMILES for (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one is O=C1OCC[C@@H]1N1CCCc2cc(Cl)ccc21.
What is the InChIKey of (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one?
The InChIKey is NQEUCZBHGAFVAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-10-3-4-11-9(8-10)2-1-6-15(11)12-5-7-17-13(12)16/h3-4,8,12H,1-2,5-7H2/t12-/m0/s1.
What are the key properties of (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one?
(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one has a molecular weight of 251.71 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)oxolan-2-one is sourced from PubChem (CID 59465621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).