methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate

C19H16ClNO3 — CID 19087804

IUPACmethyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C19H16ClNO3/c1-23-19(22)11-13-6-9-18(16(20)10-13)24-12-15-8-7-14-4-2-3-5-17(14)21-15/h2-10H,11-12H2,1H3
InChIKeyFZFGZJOWSSHPRZ-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.18
Rot. Bonds5

About methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate

methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate (PubChem CID 19087804) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
PubChem CID19087804
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Namemethyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C19H16ClNO3/c1-23-19(22)11-13-6-9-18(16(20)10-13)24-12-15-8-7-14-4-2-3-5-17(14)21-15/h2-10H,11-12H2,1H3
InChIKeyFZFGZJOWSSHPRZ-UHFFFAOYSA-N
XLogP4.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087783
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate
CID 57195280
3-[3-bromo-4-(quinolin-2-ylmethoxy)phenyl]-2-oxopropane-1-sulfonamide
CID 19087778
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
ethyl 2-[4-(quinolin-2-ylmethoxy)-3-(trifluoromethylsulfanyl)phenyl]acetate
CID 19087777
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
CID 54314430
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
methyl 2-[3-[(4-chlorophenyl)methylidene]-2-methyl-6-(quinolin-2-ylmethoxy)inden-1-yl]acetate
CID 54107820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate (CID 19087804) is methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate is COC(=O)Cc1ccc(OCc2ccc3ccccc3n2)c(Cl)c1.
What is the InChIKey of methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate?
The InChIKey is FZFGZJOWSSHPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-23-19(22)11-13-6-9-18(16(20)10-13)24-12-15-8-7-14-4-2-3-5-17(14)21-15/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate?
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate has a molecular weight of 341.79 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 19087804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).