2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid

C28H26ClNO5 — CID 22241364

IUPAC2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O
InChIInChI=1S/C28H26ClNO5/c1-2-6-27(28(31)32)35-26-14-12-21(29)15-20(26)17-33-23-8-5-9-24(16-23)34-18-22-13-11-19-7-3-4-10-25(19)30-22/h3-5,7-16,27H,2,6,17-18H2,1H3,(H,31,32)
InChIKeyOBZBGRXRCABBFR-UHFFFAOYSA-N
MW491.97 g/mol
LogP6.68
Rot. Bonds11

About 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid

2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid (PubChem CID 22241364) has the molecular formula C28H26ClNO5 and a molecular weight of 491.97 g/mol. Its IUPAC name is 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid
PubChem CID22241364
Molecular FormulaC28H26ClNO5
Molecular Weight491.97 g/mol
Exact Mass491.15
IUPAC Name2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O
InChIInChI=1S/C28H26ClNO5/c1-2-6-27(28(31)32)35-26-14-12-21(29)15-20(26)17-33-23-8-5-9-24(16-23)34-18-22-13-11-19-7-3-4-10-25(19)30-22/h3-5,7-16,27H,2,6,17-18H2,1H3,(H,31,32)
InChIKeyOBZBGRXRCABBFR-UHFFFAOYSA-N
XLogP6.68
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.97
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid with MolForge

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Related Compounds

4-[3-(Quinolin-2-ylmethoxy)-phenoxy]-butyric acid ethyl ester
CID 9820486
4-[3-(Quinolin-2-ylmethoxy)-phenoxy]-butyric acid
CID 9927762
2-{[3-Chloro-4-(quinolin-2-ylmethoxy)-phenyl]-cyclohexyl-methoxyimino}-propionic acid
CID 10600308
2-{[2-Chloro-4-(quinolin-2-ylmethoxy)-phenyl]-cyclohexyl-methoxyimino}-propionic acid
CID 10766653
6-Chloro-4-oxo-5-[4-(quinolin-2-ylmethoxy)-benzyloxy]-chroman-2-carboxylic acid
CID 44292186
(2E)-2-[cyclohexyl-[2-methoxy-4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid
CID 10600138
3-[7-[(7-Chloroquinolin-2-yl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid
CID 71450010
3-[7-[(7-Chloroquinolin-2-yl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid
CID 71460816
2-[3-[(Z)-1-(7-chloroquinolin-2-yl)prop-1-en-2-yl]phenoxy]propanoic acid
CID 10248421
2-[3-[(E)-1-(7-chloroquinolin-2-yl)prop-1-en-2-yl]phenoxy]propanoic acid
CID 10406683
2-[2-[[4-[(8-Fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid
CID 18727380
2-[4-(4-Fluorophenyl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]acetic acid
CID 19745874

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid?
The IUPAC name of 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid (CID 22241364) is 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid.
What is the SMILES notation for 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid?
The canonical SMILES for 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid is CCCC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.
What is the InChIKey of 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid?
The InChIKey is OBZBGRXRCABBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClNO5/c1-2-6-27(28(31)32)35-26-14-12-21(29)15-20(26)17-33-23-8-5-9-24(16-23)34-18-22-13-11-19-7-3-4-10-25(19)30-22/h3-5,7-16,27H,2,6,17-18H2,1H3,(H,31,32).
What are the key properties of 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid?
2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid has a molecular weight of 491.97 g/mol, XLogP of 6.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid is sourced from PubChem (CID 22241364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).