[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate

C22H25NO4 — CID 42972023

IUPAC[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OC(C)C(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C22H25NO4/c1-15-10-11-19(13-16(15)2)26-14-21(24)27-17(3)22(25)23-12-6-8-18-7-4-5-9-20(18)23/h4-5,7,9-11,13,17H,6,8,12,14H2,1-3H3
InChIKeyUEPBWTWQWPKRAF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.59
Rot. Bonds5

About [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 42972023) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID42972023
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OC(C)C(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C22H25NO4/c1-15-10-11-19(13-16(15)2)26-14-21(24)27-17(3)22(25)23-12-6-8-18-7-4-5-9-20(18)23/h4-5,7,9-11,13,17H,6,8,12,14H2,1-3H3
InChIKeyUEPBWTWQWPKRAF-UHFFFAOYSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate with MolForge

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Related Compounds

[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 8922898
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 7904659
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846175
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 2426464
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516050
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234951
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234952

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate (CID 42972023) is [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OC(C)C(=O)N2CCCc3ccccc32)cc1C.
What is the InChIKey of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is UEPBWTWQWPKRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-10-11-19(13-16(15)2)26-14-21(24)27-17(3)22(25)23-12-6-8-18-7-4-5-9-20(18)23/h4-5,7,9-11,13,17H,6,8,12,14H2,1-3H3.
What are the key properties of [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate?
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 367.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 42972023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).