2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile

C19H20N2O2 — CID 52728785

IUPAC2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile
SMILESCOc1cccc2c1N(CCOc1ccccc1C#N)CCC2
InChIInChI=1S/C19H20N2O2/c1-22-18-10-4-7-15-8-5-11-21(19(15)18)12-13-23-17-9-3-2-6-16(17)14-20/h2-4,6-7,9-10H,5,8,11-13H2,1H3
InChIKeyNGNFYNASGQGDOE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.40
Rot. Bonds5

About 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile

2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile (PubChem CID 52728785) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile
PubChem CID52728785
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile
SMILESCOc1cccc2c1N(CCOc1ccccc1C#N)CCC2
InChIInChI=1S/C19H20N2O2/c1-22-18-10-4-7-15-8-5-11-21(19(15)18)12-13-23-17-9-3-2-6-16(17)14-20/h2-4,6-7,9-10H,5,8,11-13H2,1H3
InChIKeyNGNFYNASGQGDOE-UHFFFAOYSA-N
XLogP3.40
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-ol
CID 110907937
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CID 20987769
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
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4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
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2-[4-(4-methylpiperazin-1-yl)butoxy]benzonitrile;hydrochloride
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CID 54882660
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]benzonitrile
CID 107392613
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
CID 106669436
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]benzonitrile
CID 61238278
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile (CID 52728785) is 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile is COc1cccc2c1N(CCOc1ccccc1C#N)CCC2.
What is the InChIKey of 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile?
The InChIKey is NGNFYNASGQGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-22-18-10-4-7-15-8-5-11-21(19(15)18)12-13-23-17-9-3-2-6-16(17)14-20/h2-4,6-7,9-10H,5,8,11-13H2,1H3.
What are the key properties of 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile?
2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile has a molecular weight of 308.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 52728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).