13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione

C16H12N2O3 — CID 59256737

IUPAC13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione
SMILESO=c1ccc2c(=O)n3c(c(O)c2[nH]1)-c1ccccc1CC3
InChIInChI=1S/C16H12N2O3/c19-12-6-5-11-13(17-12)15(20)14-10-4-2-1-3-9(10)7-8-18(14)16(11)21/h1-6,20H,7-8H2,(H,17,19)
InChIKeyROWVJNISVRVZSA-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.62
Rot. Bonds

About 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione

13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione (PubChem CID 59256737) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione.

Molecular Properties

Compound Name13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione
PubChem CID59256737
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione
SMILESO=c1ccc2c(=O)n3c(c(O)c2[nH]1)-c1ccccc1CC3
InChIInChI=1S/C16H12N2O3/c19-12-6-5-11-13(17-12)15(20)14-10-4-2-1-3-9(10)7-8-18(14)16(11)21/h1-6,20H,7-8H2,(H,17,19)
InChIKeyROWVJNISVRVZSA-UHFFFAOYSA-N
XLogP1.62
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione?
The IUPAC name of 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione (CID 59256737) is 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione.
What is the SMILES notation for 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione?
The canonical SMILES for 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione is O=c1ccc2c(=O)n3c(c(O)c2[nH]1)-c1ccccc1CC3.
What is the InChIKey of 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione?
The InChIKey is ROWVJNISVRVZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-12-6-5-11-13(17-12)15(20)14-10-4-2-1-3-9(10)7-8-18(14)16(11)21/h1-6,20H,7-8H2,(H,17,19).
What are the key properties of 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione?
13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione has a molecular weight of 280.28 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-6,12-dihydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-8,11-dione is sourced from PubChem (CID 59256737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).