methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate

C20H23NO3 — CID 59368851

IUPACmethyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(COc2cccc3c2NCCC3)cc1
InChIInChI=1S/C20H23NO3/c1-23-19(22)12-11-15-7-9-16(10-8-15)14-24-18-6-2-4-17-5-3-13-21-20(17)18/h2,4,6-10,21H,3,5,11-14H2,1H3
InChIKeyCYLDYJUNAVMPPZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.73
Rot. Bonds6

About methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate

methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate (PubChem CID 59368851) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
PubChem CID59368851
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(COc2cccc3c2NCCC3)cc1
InChIInChI=1S/C20H23NO3/c1-23-19(22)12-11-15-7-9-16(10-8-15)14-24-18-6-2-4-17-5-3-13-21-20(17)18/h2,4,6-10,21H,3,5,11-14H2,1H3
InChIKeyCYLDYJUNAVMPPZ-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate
CID 61027038
ethyl 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368737
sodium 3-[2-fluoro-4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368663
N-ethyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 62324258
methyl 3-(8-bromo-1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 99991424
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 63423959
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170
N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
CID 61026655
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate (CID 59368851) is methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate is COC(=O)CCc1ccc(COc2cccc3c2NCCC3)cc1.
What is the InChIKey of methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate?
The InChIKey is CYLDYJUNAVMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-19(22)12-11-15-7-9-16(10-8-15)14-24-18-6-2-4-17-5-3-13-21-20(17)18/h2,4,6-10,21H,3,5,11-14H2,1H3.
What are the key properties of methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate?
methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate has a molecular weight of 325.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate is sourced from PubChem (CID 59368851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).