ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate

C30H35NO3 — CID 70973383

IUPACethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(COc2ccc3c(c2)N(Cc2ccccc2)CCC3)cc1CC
InChIInChI=1S/C30H35NO3/c1-3-25-19-24(12-13-26(25)15-17-30(32)33-4-2)22-34-28-16-14-27-11-8-18-31(29(27)20-28)21-23-9-6-5-7-10-23/h5-7,9-10,12-14,16,19-20H,3-4,8,11,15,17-18,21-22H2,1-2H3
InChIKeyHTDYAUMECIUMDY-UHFFFAOYSA-N
MW457.61 g/mol
LogP6.28
Rot. Bonds10

About ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate

ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate (PubChem CID 70973383) has the molecular formula C30H35NO3 and a molecular weight of 457.61 g/mol. Its IUPAC name is ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate
PubChem CID70973383
Molecular FormulaC30H35NO3
Molecular Weight457.61 g/mol
Exact Mass457.26
IUPAC Nameethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(COc2ccc3c(c2)N(Cc2ccccc2)CCC3)cc1CC
InChIInChI=1S/C30H35NO3/c1-3-25-19-24(12-13-26(25)15-17-30(32)33-4-2)22-34-28-16-14-27-11-8-18-31(29(27)20-28)21-23-9-6-5-7-10-23/h5-7,9-10,12-14,16,19-20H,3-4,8,11,15,17-18,21-22H2,1-2H3
InChIKeyHTDYAUMECIUMDY-UHFFFAOYSA-N
XLogP6.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.61
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-5-yl)methoxy]-2-fluorophenyl]propanoate
CID 59368702
ethyl 3-[2-fluoro-4-[[1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-7-yl]methoxy]phenyl]propanoate
CID 59368682
ethyl 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methoxy]phenyl]propanoate
CID 59368643
ethyl 3-[4-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)methoxy]-2-fluorophenyl]propanoate
CID 59368853
ethyl 3-[2-fluoro-4-[[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]phenyl]propanoate
CID 59369240
ethyl 3-[2-fluoro-4-[(1-propyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoate
CID 59368832
ethyl 3-[2-fluoro-4-[[1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]phenyl]propanoate
CID 59368929
ethyl 3-[2-fluoro-4-[[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]phenyl]propanoate
CID 59369320
ethyl 3-[2-fluoro-4-[(1-propan-2-yl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]phenyl]propanoate
CID 59368879
ethyl 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoate
CID 59368605
sodium 3-[2-fluoro-4-[[1-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-quinolin-7-yl]methoxy]phenyl]propanoate
CID 59368950
ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate
CID 59368709

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate?
The IUPAC name of ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate (CID 70973383) is ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate is CCOC(=O)CCc1ccc(COc2ccc3c(c2)N(Cc2ccccc2)CCC3)cc1CC.
What is the InChIKey of ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate?
The InChIKey is HTDYAUMECIUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO3/c1-3-25-19-24(12-13-26(25)15-17-30(32)33-4-2)22-34-28-16-14-27-11-8-18-31(29(27)20-28)21-23-9-6-5-7-10-23/h5-7,9-10,12-14,16,19-20H,3-4,8,11,15,17-18,21-22H2,1-2H3.
What are the key properties of ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate?
ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate has a molecular weight of 457.61 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)oxymethyl]-2-ethylphenyl]propanoate is sourced from PubChem (CID 70973383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).