3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile

C19H18N2O3 — CID 51286920

IUPAC3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
SMILESCOc1ccc2c(c1)CCCN2C(=O)COc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-7-8-18-15(11-16)5-3-9-21(18)19(22)13-24-17-6-2-4-14(10-17)12-20/h2,4,6-8,10-11H,3,5,9,13H2,1H3
InChIKeyIKGAITLWDISHRO-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.93
Rot. Bonds4

About 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile

3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile (PubChem CID 51286920) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
PubChem CID51286920
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
SMILESCOc1ccc2c(c1)CCCN2C(=O)COc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-7-8-18-15(11-16)5-3-9-21(18)19(22)13-24-17-6-2-4-14(10-17)12-20/h2,4,6-8,10-11H,3,5,9,13H2,1H3
InChIKeyIKGAITLWDISHRO-UHFFFAOYSA-N
XLogP2.93
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone
CID 41459030
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
CID 137347729
3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 9333293
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
3-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 25477722
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone
CID 42925515

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile?
The IUPAC name of 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile (CID 51286920) is 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile?
The canonical SMILES for 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile is COc1ccc2c(c1)CCCN2C(=O)COc1cccc(C#N)c1.
What is the InChIKey of 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile?
The InChIKey is IKGAITLWDISHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-16-7-8-18-15(11-16)5-3-9-21(18)19(22)13-24-17-6-2-4-14(10-17)12-20/h2,4,6-8,10-11H,3,5,9,13H2,1H3.
What are the key properties of 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile?
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile has a molecular weight of 322.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 51286920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).