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

C17H22N2O2 — CID 114409872

IUPAC[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESCOCC1=CCN(C(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H22N2O2/c1-21-12-13-6-9-19(10-7-13)17(20)15-4-5-16-14(11-15)3-2-8-18-16/h4-6,11,18H,2-3,7-10,12H2,1H3
InChIKeyNVTZKUFYGZITDN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds3

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

[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 114409872) 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-6-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID114409872
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-6-yl)methanone
SMILESCOCC1=CCN(C(=O)c2ccc3c(c2)CCCN3)CC1
InChIInChI=1S/C17H22N2O2/c1-21-12-13-6-9-19(10-7-13)17(20)15-4-5-16-14(11-15)3-2-8-18-16/h4-6,11,18H,2-3,7-10,12H2,1H3
InChIKeyNVTZKUFYGZITDN-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 106586843
1H-indol-6-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390176
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 103533020
1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 62973285
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one
CID 104919718
[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 138045601
(2,5-dihydroxyphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107723876
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114412341
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 114459940
(2-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 83052849

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 114409872) is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is COCC1=CCN(C(=O)c2ccc3c(c2)CCCN3)CC1.
What is the InChIKey of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is NVTZKUFYGZITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-12-13-6-9-19(10-7-13)17(20)15-4-5-16-14(11-15)3-2-8-18-16/h4-6,11,18H,2-3,7-10,12H2,1H3.
What are the key properties of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.46, 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-6-yl)methanone is sourced from PubChem (CID 114409872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).