ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate

C21H24N2O3 — CID 109034988

IUPACethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3/c1-2-26-21(25)17-10-4-5-11-18(17)22-14-13-20(24)23-15-7-9-16-8-3-6-12-19(16)23/h3-6,8,10-12,22H,2,7,9,13-15H2,1H3
InChIKeyULILUYYQPVNJON-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.64
Rot. Bonds6

About ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate

ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate (PubChem CID 109034988) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
PubChem CID109034988
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3/c1-2-26-21(25)17-10-4-5-11-18(17)22-14-13-20(24)23-15-7-9-16-8-3-6-12-19(16)23/h3-6,8,10-12,22H,2,7,9,13-15H2,1H3
InChIKeyULILUYYQPVNJON-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
CID 47877423
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613
ethyl 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 35531501
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-benzamidobenzoate
CID 7835824
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529273
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542921
ethyl 2-(propylamino)benzoate
CID 15662762
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
The IUPAC name of ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate (CID 109034988) is ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate is CCOC(=O)c1ccccc1NCCC(=O)N1CCCc2ccccc21.
What is the InChIKey of ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
The InChIKey is ULILUYYQPVNJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-21(25)17-10-4-5-11-18(17)22-14-13-20(24)23-15-7-9-16-8-3-6-12-19(16)23/h3-6,8,10-12,22H,2,7,9,13-15H2,1H3.
What are the key properties of ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate has a molecular weight of 352.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109034988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).