methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate

C14H14ClNO3 — CID 174478741

IUPACmethyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
SMILESCOC(=O)COCCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClNO3/c1-18-13(17)9-19-8-6-10-4-5-12(15)11-3-2-7-16-14(10)11/h2-5,7H,6,8-9H2,1H3
InChIKeyCDGSVJYSZFXGNZ-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.62
Rot. Bonds5

About methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate

methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate (PubChem CID 174478741) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
PubChem CID174478741
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
SMILESCOC(=O)COCCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClNO3/c1-18-13(17)9-19-8-6-10-4-5-12(15)11-3-2-7-16-14(10)11/h2-5,7H,6,8-9H2,1H3
InChIKeyCDGSVJYSZFXGNZ-UHFFFAOYSA-N
XLogP2.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 60585076
2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid
CID 174461558
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
2-[(5-chloroquinolin-8-yl)methylamino]ethyl carbamate
CID 112617841
methyl 2-[2-[2-(2-bromo-3-pyridinyl)phenyl]ethoxy]acetate
CID 90013566
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 75416683
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 51172402
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate (CID 174478741) is methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate is COC(=O)COCCc1ccc(Cl)c2cccnc12.
What is the InChIKey of methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate?
The InChIKey is CDGSVJYSZFXGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-18-13(17)9-19-8-6-10-4-5-12(15)11-3-2-7-16-14(10)11/h2-5,7H,6,8-9H2,1H3.
What are the key properties of methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate?
methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate has a molecular weight of 279.72 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate is sourced from PubChem (CID 174478741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).