methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate

C22H23ClN2O4 — CID 60585076

IUPACmethyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C22H23ClN2O4/c1-27-17-9-15(10-18(11-17)28-2)12-25(14-21(26)29-3)13-16-6-7-20(23)19-5-4-8-24-22(16)19/h4-11H,12-14H2,1-3H3
InChIKeyQJDAIHAQTZKCEW-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.08
Rot. Bonds8

About methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate

methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate (PubChem CID 60585076) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
PubChem CID60585076
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Namemethyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C22H23ClN2O4/c1-27-17-9-15(10-18(11-17)28-2)12-25(14-21(26)29-3)13-16-6-7-20(23)19-5-4-8-24-22(16)19/h4-11H,12-14H2,1-3H3
InChIKeyQJDAIHAQTZKCEW-UHFFFAOYSA-N
XLogP4.08
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
CID 174478741
methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548923
2-(5-chloroquinolin-8-yl)oxy-N-(3,5-dimethoxyphenyl)acetamide
CID 8005978
methyl 2-[2,3-dihydro-1H-indol-7-ylmethyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate;hydrochloride
CID 120848006
2-[(5-chloroquinolin-8-yl)methyl-ethylamino]ethanol
CID 60509838
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 8716362
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 75416683
methyl 2-[[2-[benzyl(ethyl)amino]-2-oxoethyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548926
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate (CID 60585076) is methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate is COC(=O)CN(Cc1cc(OC)cc(OC)c1)Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
The InChIKey is QJDAIHAQTZKCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-27-17-9-15(10-18(11-17)28-2)12-25(14-21(26)29-3)13-16-6-7-20(23)19-5-4-8-24-22(16)19/h4-11H,12-14H2,1-3H3.
What are the key properties of methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate?
methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate has a molecular weight of 414.89 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloroquinolin-8-yl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate is sourced from PubChem (CID 60585076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).