13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one

C24H26N2O2 — CID 3241378

IUPAC13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
SMILESCC1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1
InChIInChI=1S/C24H26N2O2/c1-16-10-13-25(14-11-16)24(28)21-19-8-4-5-9-20(19)23(27)26-15-12-17-6-2-3-7-18(17)22(21)26/h2-9,16,21-22H,10-15H2,1H3
InChIKeyDBDNWMHBUMAELA-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.78
Rot. Bonds1

About 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one

13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one (PubChem CID 3241378) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one.

Molecular Properties

Compound Name13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
PubChem CID3241378
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
SMILESCC1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1
InChIInChI=1S/C24H26N2O2/c1-16-10-13-25(14-11-16)24(28)21-19-8-4-5-9-20(19)23(27)26-15-12-17-6-2-3-7-18(17)22(21)26/h2-9,16,21-22H,10-15H2,1H3
InChIKeyDBDNWMHBUMAELA-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one 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 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one?
The IUPAC name of 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one (CID 3241378) is 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one.
What is the SMILES notation for 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one?
The canonical SMILES for 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one is CC1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1.
What is the InChIKey of 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one?
The InChIKey is DBDNWMHBUMAELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-10-13-25(14-11-16)24(28)21-19-8-4-5-9-20(19)23(27)26-15-12-17-6-2-3-7-18(17)22(21)26/h2-9,16,21-22H,10-15H2,1H3.
What are the key properties of 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one?
13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one has a molecular weight of 374.48 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-methylpiperidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one is sourced from PubChem (CID 3241378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).