[(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate

C18H14ClNO2 — CID 2555320

IUPAC[(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C18H14ClNO2/c1-12(14-7-3-4-8-15(14)19)22-18(21)17-11-10-13-6-2-5-9-16(13)20-17/h2-12H,1H3/t12-/m0/s1
InChIKeyIJJKZAAJCZGWRE-LBPRGKRZSA-N
MW311.77 g/mol
LogP4.81
Rot. Bonds3

About [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate

[(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate (PubChem CID 2555320) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate
PubChem CID2555320
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C18H14ClNO2/c1-12(14-7-3-4-8-15(14)19)22-18(21)17-11-10-13-6-2-5-9-16(13)20-17/h2-12H,1H3/t12-/m0/s1
InChIKeyIJJKZAAJCZGWRE-LBPRGKRZSA-N
XLogP4.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

but-3-yn-2-yl quinoline-2-carboxylate
CID 71987794
[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247094
[(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 7812991
1-(4-oxo-3H-quinazolin-2-yl)ethyl quinoline-2-carboxylate
CID 135881200
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209531
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 802454
[1-(carbamoylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 3388665
1-(2-chlorophenyl)ethyl 2-methylsulfonylbenzoate
CID 18083137
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
CID 139238801
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 2358161
(4-ethoxyphenyl) quinoline-2-carboxylate
CID 1231895

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate (CID 2555320) is [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate is C[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate?
The InChIKey is IJJKZAAJCZGWRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-12(14-7-3-4-8-15(14)19)22-18(21)17-11-10-13-6-2-5-9-16(13)20-17/h2-12H,1H3/t12-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate?
[(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2555320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).