2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid

C17H12ClNO4 — CID 174248305

IUPAC2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid
SMILESO=C(O)COc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C17H12ClNO4/c18-12-3-1-11-2-8-16(19-15(11)9-12)23-14-6-4-13(5-7-14)22-10-17(20)21/h1-9H,10H2,(H,20,21)
InChIKeyJLBHAUNCTSRSIG-UHFFFAOYSA-N
MW329.74 g/mol
LogP4.14
Rot. Bonds5

About 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid

2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid (PubChem CID 174248305) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid
PubChem CID174248305
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC Name2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid
SMILESO=C(O)COc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C17H12ClNO4/c18-12-3-1-11-2-8-16(19-15(11)9-12)23-14-6-4-13(5-7-14)22-10-17(20)21/h1-9H,10H2,(H,20,21)
InChIKeyJLBHAUNCTSRSIG-UHFFFAOYSA-N
XLogP4.14
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid
CID 171812244
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
CID 174737533
methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
CID 18631258
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate
CID 174896750
1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea
CID 126644832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid?
The IUPAC name of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid (CID 174248305) is 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid is O=C(O)COc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1.
What is the InChIKey of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid?
The InChIKey is JLBHAUNCTSRSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c18-12-3-1-11-2-8-16(19-15(11)9-12)23-14-6-4-13(5-7-14)22-10-17(20)21/h1-9H,10H2,(H,20,21).
What are the key properties of 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid?
2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid has a molecular weight of 329.74 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]acetic acid is sourced from PubChem (CID 174248305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).