1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine

C22H27NO2 — CID 176503477

IUPAC1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccc3cc(OCCC4CCOC4)ccc3c2)CC1
InChIInChI=1S/C22H27NO2/c1-23-10-6-18(7-11-23)19-2-3-21-15-22(5-4-20(21)14-19)25-13-9-17-8-12-24-16-17/h2-6,14-15,17H,7-13,16H2,1H3
InChIKeyMMVDXIFEGCINLO-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.36
Rot. Bonds5

About 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine

1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine (PubChem CID 176503477) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine
PubChem CID176503477
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccc3cc(OCCC4CCOC4)ccc3c2)CC1
InChIInChI=1S/C22H27NO2/c1-23-10-6-18(7-11-23)19-2-3-21-15-22(5-4-20(21)14-19)25-13-9-17-8-12-24-16-17/h2-6,14-15,17H,7-13,16H2,1H3
InChIKeyMMVDXIFEGCINLO-UHFFFAOYSA-N
XLogP4.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine (CID 176503477) is 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine is CN1CC=C(c2ccc3cc(OCCC4CCOC4)ccc3c2)CC1.
What is the InChIKey of 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is MMVDXIFEGCINLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-23-10-6-18(7-11-23)19-2-3-21-15-22(5-4-20(21)14-19)25-13-9-17-8-12-24-16-17/h2-6,14-15,17H,7-13,16H2,1H3.
What are the key properties of 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine?
1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 337.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176503477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).