7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline

C18H26N2O3 — CID 110457267

IUPAC7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1c2c(cc3c1OCCO3)CN(CCCN1CCOCC1)CC2
InChIInChI=1S/C18H26N2O3/c1(3-19-6-8-21-9-7-19)4-20-5-2-15-12-17-18(13-16(15)14-20)23-11-10-22-17/h12-13H,1-11,14H2
InChIKeyOQTICNOZQYONCY-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.54
Rot. Bonds4

About 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline

7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 110457267) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID110457267
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1c2c(cc3c1OCCO3)CN(CCCN1CCOCC1)CC2
InChIInChI=1S/C18H26N2O3/c1(3-19-6-8-21-9-7-19)4-20-5-2-15-12-17-18(13-16(15)14-20)23-11-10-22-17/h12-13H,1-11,14H2
InChIKeyOQTICNOZQYONCY-UHFFFAOYSA-N
XLogP1.54
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline with MolForge

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Related Compounds

4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
8-ethyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 110457274
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 2752336
7-bromo-2-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 110456688
8-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 110457273
tert-butyl N-[2-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)ethyl]carbamate
CID 110457290
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
CID 110457257
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 75488987
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
CID 794240

Frequently Asked Questions

What is the IUPAC name of 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline (CID 110457267) is 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline is c1c2c(cc3c1OCCO3)CN(CCCN1CCOCC1)CC2.
What is the InChIKey of 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is OQTICNOZQYONCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1(3-19-6-8-21-9-7-19)4-20-5-2-15-12-17-18(13-16(15)14-20)23-11-10-22-17/h12-13H,1-11,14H2.
What are the key properties of 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 318.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-morpholin-4-ylpropyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 110457267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).