4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile

C18H18N2O — CID 106787989

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
SMILESCOc1cc(CN2CCCc3ccccc32)ccc1C#N
InChIInChI=1S/C18H18N2O/c1-21-18-11-14(8-9-16(18)12-19)13-20-10-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-9,11H,4,6,10,13H2,1H3
InChIKeyGWSSWOMOGWFBBL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.52
Rot. Bonds3

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile (PubChem CID 106787989) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
PubChem CID106787989
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
SMILESCOc1cc(CN2CCCc3ccccc32)ccc1C#N
InChIInChI=1S/C18H18N2O/c1-21-18-11-14(8-9-16(18)12-19)13-20-10-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-9,11H,4,6,10,13H2,1H3
InChIKeyGWSSWOMOGWFBBL-UHFFFAOYSA-N
XLogP3.52
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
2-[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenoxy]acetamide
CID 86785685
2-methoxy-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzonitrile
CID 106787973
2-methoxy-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzonitrile
CID 106793389
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile
CID 122478261
2-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethoxy]benzonitrile
CID 52728785
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82975068
4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
5-bromo-1-[(4-cyano-3-methoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 106792207

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile (CID 106787989) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile is COc1cc(CN2CCCc3ccccc32)ccc1C#N.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile?
The InChIKey is GWSSWOMOGWFBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-21-18-11-14(8-9-16(18)12-19)13-20-10-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-9,11H,4,6,10,13H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile is sourced from PubChem (CID 106787989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).