(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate

C18H13ClNO4- — CID 7308017

IUPAC(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate
SMILESC[C@@H](Oc1ccc(Oc2ccc3cccc(Cl)c3n2)cc1)C(=O)[O-]
InChIInChI=1S/C18H14ClNO4/c1-11(18(21)22)23-13-6-8-14(9-7-13)24-16-10-5-12-3-2-4-15(19)17(12)20-16/h2-11H,1H3,(H,21,22)/p-1/t11-/m1/s1
InChIKeyZHLLMFXGKOJGLR-LLVKDONJSA-M
MW342.76 g/mol
LogP3.20
Rot. Bonds5

About (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate

(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate (PubChem CID 7308017) has the molecular formula C18H13ClNO4- and a molecular weight of 342.76 g/mol. Its IUPAC name is (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate.

Molecular Properties

Compound Name(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate
PubChem CID7308017
Molecular FormulaC18H13ClNO4-
Molecular Weight342.76 g/mol
Exact Mass342.05
IUPAC Name(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate
SMILESC[C@@H](Oc1ccc(Oc2ccc3cccc(Cl)c3n2)cc1)C(=O)[O-]
InChIInChI=1S/C18H14ClNO4/c1-11(18(21)22)23-13-6-8-14(9-7-13)24-16-10-5-12-3-2-4-15(19)17(12)20-16/h2-11H,1H3,(H,21,22)/p-1/t11-/m1/s1
InChIKeyZHLLMFXGKOJGLR-LLVKDONJSA-M
XLogP3.20
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
CID 679744
2-(4-chlorophenoxy)propanoate
CID 4556388
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-(4-tert-butylphenoxy)propanoate
CID 71431991
(2R)-2-[4-(carboxylatomethoxy)phenoxy]propanoate;piperazine-1,4-diium
CID 139084041
2,3-dichloro-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003659
2-(3,4-dimethylphenoxy)propanoate
CID 4744716
methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 2427450
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate?
The IUPAC name of (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate (CID 7308017) is (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate.
What is the SMILES notation for (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate?
The canonical SMILES for (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate is C[C@@H](Oc1ccc(Oc2ccc3cccc(Cl)c3n2)cc1)C(=O)[O-].
What is the InChIKey of (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate?
The InChIKey is ZHLLMFXGKOJGLR-LLVKDONJSA-M. The full InChI is InChI=1S/C18H14ClNO4/c1-11(18(21)22)23-13-6-8-14(9-7-13)24-16-10-5-12-3-2-4-15(19)17(12)20-16/h2-11H,1H3,(H,21,22)/p-1/t11-/m1/s1.
What are the key properties of (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate?
(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate has a molecular weight of 342.76 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate is sourced from PubChem (CID 7308017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).