1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one

C18H12N2O2 — CID 58168379

IUPAC1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Oc3ccccc3)c2c2ccccc12
InChIInChI=1S/C18H12N2O2/c21-18-14-9-5-4-8-13(14)16-15(10-11-19-17(16)20-18)22-12-6-2-1-3-7-12/h1-11H,(H,19,20,21)
InChIKeyWTABKMOPGUAUGO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.87
Rot. Bonds2

About 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one

1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58168379) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58168379
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Oc3ccccc3)c2c2ccccc12
InChIInChI=1S/C18H12N2O2/c21-18-14-9-5-4-8-13(14)16-15(10-11-19-17(16)20-18)22-12-6-2-1-3-7-12/h1-11H,(H,19,20,21)
InChIKeyWTABKMOPGUAUGO-UHFFFAOYSA-N
XLogP3.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
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 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one (CID 58168379) is 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one is O=c1[nH]c2nccc(Oc3ccccc3)c2c2ccccc12.
What is the InChIKey of 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is WTABKMOPGUAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18-14-9-5-4-8-13(14)16-15(10-11-19-17(16)20-18)22-12-6-2-1-3-7-12/h1-11H,(H,19,20,21).
What are the key properties of 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one?
1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 288.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58168379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).