1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone

C21H30N2O4 — CID 1375870

IUPAC1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone
SMILESCOc1cc2c(cc1OC)C1(CCCC1)CN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C21H30N2O4/c1-25-18-11-16-13-23(20(24)14-22-7-9-27-10-8-22)15-21(5-3-4-6-21)17(16)12-19(18)26-2/h11-12H,3-10,13-15H2,1-2H3
InChIKeyRULMTUJMGBEQOF-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.19
Rot. Bonds4

About 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone

1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone (PubChem CID 1375870) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone
PubChem CID1375870
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone
SMILESCOc1cc2c(cc1OC)C1(CCCC1)CN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C21H30N2O4/c1-25-18-11-16-13-23(20(24)14-22-7-9-27-10-8-22)15-21(5-3-4-6-21)17(16)12-19(18)26-2/h11-12H,3-10,13-15H2,1-2H3
InChIKeyRULMTUJMGBEQOF-UHFFFAOYSA-N
XLogP2.19
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone (CID 1375870) is 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone is COc1cc2c(cc1OC)C1(CCCC1)CN(C(=O)CN1CCOCC1)C2.
What is the InChIKey of 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone?
The InChIKey is RULMTUJMGBEQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-25-18-11-16-13-23(20(24)14-22-7-9-27-10-8-22)15-21(5-3-4-6-21)17(16)12-19(18)26-2/h11-12H,3-10,13-15H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone?
1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone has a molecular weight of 374.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 1375870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).