[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone

C17H22N2O2 — CID 106901792

IUPAC[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCOCC1=CCN(C(=O)C2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H22N2O2/c1-21-12-13-6-8-19(9-7-13)17(20)15-10-14-4-2-3-5-16(14)18-11-15/h2-6,15,18H,7-12H2,1H3
InChIKeyXRNXXGRWBJWUIM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.08
Rot. Bonds3

About [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone

[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (PubChem CID 106901792) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
PubChem CID106901792
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCOCC1=CCN(C(=O)C2CNc3ccccc3C2)CC1
InChIInChI=1S/C17H22N2O2/c1-21-12-13-6-8-19(9-7-13)17(20)15-10-14-4-2-3-5-16(14)18-11-15/h2-6,15,18H,7-12H2,1H3
InChIKeyXRNXXGRWBJWUIM-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409778
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106586999
(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 79180699
(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
CID 106901528
8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 66369499
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 102933003
1,2-oxazolidin-2-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 106901703
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748
(1-methylpiperidin-4-yl) 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902774

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (CID 106901792) is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is COCC1=CCN(C(=O)C2CNc3ccccc3C2)CC1.
What is the InChIKey of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The InChIKey is XRNXXGRWBJWUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-12-13-6-8-19(9-7-13)17(20)15-10-14-4-2-3-5-16(14)18-11-15/h2-6,15,18H,7-12H2,1H3.
What are the key properties of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 106901792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).