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

C20H22N2O3 — CID 109034949

IUPACmethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-25-20(24)16-9-3-4-10-17(16)21-13-12-19(23)22-14-6-8-15-7-2-5-11-18(15)22/h2-5,7,9-11,21H,6,8,12-14H2,1H3
InChIKeyKQQPSNJJLSQSSD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.25
Rot. Bonds5

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

methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate (PubChem CID 109034949) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
PubChem CID109034949
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-25-20(24)16-9-3-4-10-17(16)21-13-12-19(23)22-14-6-8-15-7-2-5-11-18(15)22/h2-5,7,9-11,21H,6,8,12-14H2,1H3
InChIKeyKQQPSNJJLSQSSD-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
ethyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034988
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
CID 47877423
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041361
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109127494
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate (CID 109034949) is methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate is COC(=O)c1ccccc1NCCC(=O)N1CCCc2ccccc21.
What is the InChIKey of methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
The InChIKey is KQQPSNJJLSQSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-20(24)16-9-3-4-10-17(16)21-13-12-19(23)22-14-6-8-15-7-2-5-11-18(15)22/h2-5,7,9-11,21H,6,8,12-14H2,1H3.
What are the key properties of methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate?
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate has a molecular weight of 338.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109034949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).