ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate

C30H35FN2O2 — CID 59369052

IUPACethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(C)Cc2cccc3c2N(CCc2ccccc2)CCC3)cc1F
InChIInChI=1S/C30H35FN2O2/c1-3-35-29(34)17-15-24-14-16-27(21-28(24)31)32(2)22-26-12-7-11-25-13-8-19-33(30(25)26)20-18-23-9-5-4-6-10-23/h4-7,9-12,14,16,21H,3,8,13,15,17-20,22H2,1-2H3
InChIKeyQJSUFFVTDVJHKN-UHFFFAOYSA-N
MW474.62 g/mol
LogP5.95
Rot. Bonds10

About ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate

ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate (PubChem CID 59369052) has the molecular formula C30H35FN2O2 and a molecular weight of 474.62 g/mol. Its IUPAC name is ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate
PubChem CID59369052
Molecular FormulaC30H35FN2O2
Molecular Weight474.62 g/mol
Exact Mass474.27
IUPAC Nameethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(C)Cc2cccc3c2N(CCc2ccccc2)CCC3)cc1F
InChIInChI=1S/C30H35FN2O2/c1-3-35-29(34)17-15-24-14-16-27(21-28(24)31)32(2)22-26-12-7-11-25-13-8-19-33(30(25)26)20-18-23-9-5-4-6-10-23/h4-7,9-12,14,16,21H,3,8,13,15,17-20,22H2,1-2H3
InChIKeyQJSUFFVTDVJHKN-UHFFFAOYSA-N
XLogP5.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate with MolForge

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Related Compounds

ethyl 3-[2-fluoro-4-[methyl-[[1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-2H-quinolin-5-yl]methyl]amino]phenyl]propanoate
CID 59369323
ethyl 3-[2-fluoro-4-[methyl-[(1-phenyl-3,4-dihydro-2H-quinolin-5-yl)methyl]amino]phenyl]propanoate
CID 59369236
tert-butyl 7-[[4-(3-ethoxy-3-oxopropyl)-3-fluoro-N-methylanilino]methyl]-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59368795
ethyl 3-[2-fluoro-4-[[1-(4-hydroxybutyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methyl-(2,2,2-trifluoroacetyl)amino]phenyl]propanoate
CID 59368627
ethyl 3-[2-fluoro-4-[[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]phenyl]propanoate
CID 59369320
ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-5-yl)methoxy]-2-fluorophenyl]propanoate
CID 59368702
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-propan-2-yl-3,4-dihydro-2H-quinolin-8-yl)oxymethyl]phenyl]propanoate
CID 59368879
ethyl 3-[2-fluoro-4-[[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]phenyl]propanoate
CID 59369240
ethyl 3-[4-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxymethyl]-2-fluorophenyl]propanoate
CID 59368709
ethyl 3-[2-fluoro-4-[[1-(2-phenoxyethyl)-3,4-dihydro-2H-quinolin-5-yl]methylamino]phenyl]propanoate
CID 59368977
ethyl 3-[2-fluoro-4-[(1-propyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoate
CID 59368832

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate (CID 59369052) is ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate is CCOC(=O)CCc1ccc(N(C)Cc2cccc3c2N(CCc2ccccc2)CCC3)cc1F.
What is the InChIKey of ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate?
The InChIKey is QJSUFFVTDVJHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O2/c1-3-35-29(34)17-15-24-14-16-27(21-28(24)31)32(2)22-26-12-7-11-25-13-8-19-33(30(25)26)20-18-23-9-5-4-6-10-23/h4-7,9-12,14,16,21H,3,8,13,15,17-20,22H2,1-2H3.
What are the key properties of ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate?
ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate has a molecular weight of 474.62 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-fluoro-4-[methyl-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-8-yl]methyl]amino]phenyl]propanoate is sourced from PubChem (CID 59369052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).