2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

C19H22N2O2 — CID 20827139

IUPAC2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCCC1=CCN(CC2COc3ccc4ncccc4c3O2)CC1
InChIInChI=1S/C19H22N2O2/c1-2-14-7-10-21(11-8-14)12-15-13-22-18-6-5-17-16(19(18)23-15)4-3-9-20-17/h3-7,9,15H,2,8,10-13H2,1H3
InChIKeyMKCZJONFGIJGRP-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.42
Rot. Bonds3

About 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline

2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (PubChem CID 20827139) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.

Molecular Properties

Compound Name2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
PubChem CID20827139
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
SMILESCCC1=CCN(CC2COc3ccc4ncccc4c3O2)CC1
InChIInChI=1S/C19H22N2O2/c1-2-14-7-10-21(11-8-14)12-15-13-22-18-6-5-17-16(19(18)23-15)4-3-9-20-17/h3-7,9,15H,2,8,10-13H2,1H3
InChIKeyMKCZJONFGIJGRP-UHFFFAOYSA-N
XLogP3.42
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The IUPAC name of 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline (CID 20827139) is 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline.
What is the SMILES notation for 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The canonical SMILES for 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is CCC1=CCN(CC2COc3ccc4ncccc4c3O2)CC1.
What is the InChIKey of 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
The InChIKey is MKCZJONFGIJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-14-7-10-21(11-8-14)12-15-13-22-18-6-5-17-16(19(18)23-15)4-3-9-20-17/h3-7,9,15H,2,8,10-13H2,1H3.
What are the key properties of 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline?
2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline has a molecular weight of 310.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline is sourced from PubChem (CID 20827139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).