3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide

C23H24N2O4 — CID 10157331

IUPAC3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c2n(c(=O)c3cc(OC)ccc13)CCc1ccc(CO)cc1-2
InChIInChI=1S/C23H24N2O4/c1-24-21(27)8-7-18-17-6-5-16(29-2)12-20(17)23(28)25-10-9-15-4-3-14(13-26)11-19(15)22(18)25/h3-6,11-12,26H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyHRGXAJWBLIHVSC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.40
Rot. Bonds5

About 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide

3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide (PubChem CID 10157331) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide
PubChem CID10157331
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c2n(c(=O)c3cc(OC)ccc13)CCc1ccc(CO)cc1-2
InChIInChI=1S/C23H24N2O4/c1-24-21(27)8-7-18-17-6-5-16(29-2)12-20(17)23(28)25-10-9-15-4-3-14(13-26)11-19(15)22(18)25/h3-6,11-12,26H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyHRGXAJWBLIHVSC-UHFFFAOYSA-N
XLogP2.40
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide?
The IUPAC name of 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide (CID 10157331) is 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide is CNC(=O)CCc1c2n(c(=O)c3cc(OC)ccc13)CCc1ccc(CO)cc1-2.
What is the InChIKey of 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide?
The InChIKey is HRGXAJWBLIHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-24-21(27)8-7-18-17-6-5-16(29-2)12-20(17)23(28)25-10-9-15-4-3-14(13-26)11-19(15)22(18)25/h3-6,11-12,26H,7-10,13H2,1-2H3,(H,24,27).
What are the key properties of 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide?
3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide has a molecular weight of 392.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-10-methoxy-8-oxo-5,6-dihydroisoquinolino[2,1-b]isoquinolin-13-yl]-N-methylpropanamide is sourced from PubChem (CID 10157331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).