(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate

C19H15ClFNO3 — CID 9487282

IUPAC(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H15ClFNO3/c1-12(25-16-8-6-15(21)7-9-16)19(23)24-11-14-10-13-4-2-3-5-17(13)22-18(14)20/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyGCORYFOYRNHHIX-LBPRGKRZSA-N
MW359.78 g/mol
LogP4.54
Rot. Bonds5

About (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate

(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate (PubChem CID 9487282) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate
PubChem CID9487282
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Name(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C19H15ClFNO3/c1-12(25-16-8-6-15(21)7-9-16)19(23)24-11-14-10-13-4-2-3-5-17(13)22-18(14)20/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyGCORYFOYRNHHIX-LBPRGKRZSA-N
XLogP4.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloroquinolin-3-yl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 9487283
(2-chloroquinolin-3-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 9487229
(2-chloroquinolin-3-yl)methyl 2-(4-fluorophenoxy)acetate
CID 9458328
(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 8559387
(2-chloroquinolin-3-yl)methyl 5-methylpyrazine-2-carboxylate
CID 7594610
(2-chlorophenyl)methyl 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 3254737
(2-chloroquinolin-3-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 9459242
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl quinoline-2-carboxylate
CID 7433982
(2-chloroquinolin-3-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940852
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
(2-chloroquinolin-3-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507914
2-chloro-3-(1-ethoxypropan-2-yloxymethyl)quinoline
CID 103487973

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate?
The IUPAC name of (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate (CID 9487282) is (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate.
What is the SMILES notation for (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate?
The canonical SMILES for (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate is C[C@H](Oc1ccc(F)cc1)C(=O)OCc1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate?
The InChIKey is GCORYFOYRNHHIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-12(25-16-8-6-15(21)7-9-16)19(23)24-11-14-10-13-4-2-3-5-17(13)22-18(14)20/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate?
(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate has a molecular weight of 359.78 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate is sourced from PubChem (CID 9487282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).