[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

C20H20ClNO4 — CID 7846175

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C20H20ClNO4/c1-14-11-16(8-9-17(14)21)25-13-20(24)26-12-19(23)22-10-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3
InChIKeyQPEFSNUINGRBCK-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.55
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 7846175) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID7846175
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)N2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C20H20ClNO4/c1-14-11-16(8-9-17(14)21)25-13-20(24)26-12-19(23)22-10-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3
InChIKeyQPEFSNUINGRBCK-UHFFFAOYSA-N
XLogP3.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767831
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903078
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779587
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 42972023
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
ethyl 2-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)phenoxy]acetate
CID 69222609
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867443

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 7846175) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)N2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is QPEFSNUINGRBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-14-11-16(8-9-17(14)21)25-13-20(24)26-12-19(23)22-10-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-9,11H,4,6,10,12-13H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 373.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 7846175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).