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

C18H14ClNO4 — CID 679744

IUPAC(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
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)/t11-/m1/s1
InChIKeyZHLLMFXGKOJGLR-LLVKDONJSA-N
MW343.77 g/mol
LogP4.53
Rot. Bonds5

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

(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 679744) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
PubChem CID679744
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid
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)/t11-/m1/s1
InChIKeyZHLLMFXGKOJGLR-LLVKDONJSA-N
XLogP4.53
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoate
CID 7308017
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid (CID 679744) is (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid 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]propanoic acid?
The InChIKey is ZHLLMFXGKOJGLR-LLVKDONJSA-N. 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)/t11-/m1/s1.
What are the key properties of (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid?
(2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 343.77 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(8-chloroquinolin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 679744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).