1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone

C18H19NO2 — CID 668306

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NO2/c1-14-6-4-9-16(12-14)21-13-18(20)19-11-5-8-15-7-2-3-10-17(15)19/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyKNSBKQZVZJPCGH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone (PubChem CID 668306) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone
PubChem CID668306
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C18H19NO2/c1-14-6-4-9-16(12-14)21-13-18(20)19-11-5-8-15-7-2-3-10-17(15)19/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyKNSBKQZVZJPCGH-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone (CID 668306) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone?
The InChIKey is KNSBKQZVZJPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-6-4-9-16(12-14)21-13-18(20)19-11-5-8-15-7-2-3-10-17(15)19/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 668306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).