4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine

C17H22N2O — CID 818746

IUPAC4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
SMILESc1ccc2c(c1)CC1(CCCC1)N=C2N1CCOCC1
InChIInChI=1S/C17H22N2O/c1-2-6-15-14(5-1)13-17(7-3-4-8-17)18-16(15)19-9-11-20-12-10-19/h1-2,5-6H,3-4,7-13H2
InChIKeyAXYQGNUBBJLOBT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds

About 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine

4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine (PubChem CID 818746) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine.

Molecular Properties

Compound Name4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
PubChem CID818746
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine
SMILESc1ccc2c(c1)CC1(CCCC1)N=C2N1CCOCC1
InChIInChI=1S/C17H22N2O/c1-2-6-15-14(5-1)13-17(7-3-4-8-17)18-16(15)19-9-11-20-12-10-19/h1-2,5-6H,3-4,7-13H2
InChIKeyAXYQGNUBBJLOBT-UHFFFAOYSA-N
XLogP2.63
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-morpholinoethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 663369
5-(4-Morpholin-4-ylmethyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10066158
1-[3-(morpholin-4-yl)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 663906
4-[(2,5-dimethyl-5-phenyl-1H-2,4-benzodiazepin-3-yl)methyl]morpholine
CID 14978293
4-(3,3-diethyl-4H-isoquinolin-1-yl)morpholine
CID 676171
4-(3,3-dimethyl-4H-isoquinolin-1-yl)morpholine
CID 685020
N-(3,4-Dihydro-2(1H)-isoquinolinylmethylene)-1-methoxy-2-methyl-2-propanamine
CID 370767
N-butyl-1-morpholino-1-phenyl-methanimine
CID 391446
N-benzyl-1-(4-fluorophenyl)-1-morpholino-methanimine
CID 391447
1'-(morpholin-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinoline]
CID 676170
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1-phenyl-1-[(2S)-2-phenylpiperidin-1-yl]methanimine
CID 45277011
4-(1-Benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)morpholine
CID 135051977

Frequently Asked Questions

What is the IUPAC name of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
The IUPAC name of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine (CID 818746) is 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine.
What is the SMILES notation for 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
The canonical SMILES for 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine is c1ccc2c(c1)CC1(CCCC1)N=C2N1CCOCC1.
What is the InChIKey of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
The InChIKey is AXYQGNUBBJLOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-6-15-14(5-1)13-17(7-3-4-8-17)18-16(15)19-9-11-20-12-10-19/h1-2,5-6H,3-4,7-13H2.
What are the key properties of 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine?
4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine has a molecular weight of 270.38 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylmorpholine is sourced from PubChem (CID 818746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).