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

C18H19NO2 — CID 668303

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-14-8-10-16(11-9-14)21-13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyXVYMRDAENSFXPV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 668303) 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-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone
PubChem CID668303
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C18H19NO2/c1-14-8-10-16(11-9-14)21-13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3
InChIKeyXVYMRDAENSFXPV-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-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone (CID 668303) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is XVYMRDAENSFXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-8-10-16(11-9-14)21-13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-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-(4-methylphenoxy)ethanone is sourced from PubChem (CID 668303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).