1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone

C21H26N2O4 — CID 4154045

IUPAC1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone
SMILESO=C(CC1=NC2(CCCCC2)Cc2cc3c(cc21)OCO3)N1CCOCC1
InChIInChI=1S/C21H26N2O4/c24-20(23-6-8-25-9-7-23)12-17-16-11-19-18(26-14-27-19)10-15(16)13-21(22-17)4-2-1-3-5-21/h10-11H,1-9,12-14H2
InChIKeyUWPQNOUJWFVNMO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.71
Rot. Bonds2

About 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone

1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone (PubChem CID 4154045) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone
PubChem CID4154045
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone
SMILESO=C(CC1=NC2(CCCCC2)Cc2cc3c(cc21)OCO3)N1CCOCC1
InChIInChI=1S/C21H26N2O4/c24-20(23-6-8-25-9-7-23)12-17-16-11-19-18(26-14-27-19)10-15(16)13-21(22-17)4-2-1-3-5-21/h10-11H,1-9,12-14H2
InChIKeyUWPQNOUJWFVNMO-UHFFFAOYSA-N
XLogP2.71
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone 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

2-(8,8-dimethyl-3,9-dihydro-2H-[1,4]dioxino[2,3-g]isoquinolin-6-yl)acetamide
CID 7348509
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
(2E,4E)-5-(1,3-benzodioxol-5-yl)-4-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 11956725
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119618971
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
2-(1,3-benzodioxol-5-yl)-1-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 70784574
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
(2-morpholin-4-yl-2-oxoethyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 26989506
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 120921280
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 45355709
2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate
CID 21300891

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone?
The IUPAC name of 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone (CID 4154045) is 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone is O=C(CC1=NC2(CCCCC2)Cc2cc3c(cc21)OCO3)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone?
The InChIKey is UWPQNOUJWFVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-20(23-6-8-25-9-7-23)12-17-16-11-19-18(26-14-27-19)10-15(16)13-21(22-17)4-2-1-3-5-21/h10-11H,1-9,12-14H2.
What are the key properties of 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone?
1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone has a molecular weight of 370.45 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-spiro[8H-[1,3]dioxolo[4,5-g]isoquinoline-7,1'-cyclohexane]-5-ylethanone is sourced from PubChem (CID 4154045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).