10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one

C18H16N2O2 — CID 14920391

IUPAC10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one
SMILESCC(=O)N1CCc2cc3c4ccccc4ccn3c(=O)c2C1
InChIInChI=1S/C18H16N2O2/c1-12(21)19-8-6-14-10-17-15-5-3-2-4-13(15)7-9-20(17)18(22)16(14)11-19/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyPHPUHYFEXPHUTB-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.36
Rot. Bonds

About 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one

10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one (PubChem CID 14920391) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one.

Molecular Properties

Compound Name10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one
PubChem CID14920391
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one
SMILESCC(=O)N1CCc2cc3c4ccccc4ccn3c(=O)c2C1
InChIInChI=1S/C18H16N2O2/c1-12(21)19-8-6-14-10-17-15-5-3-2-4-13(15)7-9-20(17)18(22)16(14)11-19/h2-5,7,9-10H,6,8,11H2,1H3
InChIKeyPHPUHYFEXPHUTB-UHFFFAOYSA-N
XLogP2.36
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one?
The IUPAC name of 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one (CID 14920391) is 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one.
What is the SMILES notation for 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one?
The canonical SMILES for 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one is CC(=O)N1CCc2cc3c4ccccc4ccn3c(=O)c2C1.
What is the InChIKey of 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one?
The InChIKey is PHPUHYFEXPHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(21)19-8-6-14-10-17-15-5-3-2-4-13(15)7-9-20(17)18(22)16(14)11-19/h2-5,7,9-10H,6,8,11H2,1H3.
What are the key properties of 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one?
10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one has a molecular weight of 292.34 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one is sourced from PubChem (CID 14920391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).