9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one

C18H11FN2O2 — CID 58168015

IUPAC9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2ncccc2c2cc(Oc3ccccc3F)ccc12
InChIInChI=1S/C18H11FN2O2/c19-15-5-1-2-6-16(15)23-11-7-8-13-14(10-11)12-4-3-9-20-17(12)21-18(13)22/h1-10H,(H,20,21,22)
InChIKeyNXCBKSBWHZZSAY-UHFFFAOYSA-N
MW306.30 g/mol
LogP4.01
Rot. Bonds2

About 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one

9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58168015) has the molecular formula C18H11FN2O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58168015
Molecular FormulaC18H11FN2O2
Molecular Weight306.30 g/mol
Exact Mass306.08
IUPAC Name9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2ncccc2c2cc(Oc3ccccc3F)ccc12
InChIInChI=1S/C18H11FN2O2/c19-15-5-1-2-6-16(15)23-11-7-8-13-14(10-11)12-4-3-9-20-17(12)21-18(13)22/h1-10H,(H,20,21,22)
InChIKeyNXCBKSBWHZZSAY-UHFFFAOYSA-N
XLogP4.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 54.01
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 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one (CID 58168015) is 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one is O=c1[nH]c2ncccc2c2cc(Oc3ccccc3F)ccc12.
What is the InChIKey of 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is NXCBKSBWHZZSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2/c19-15-5-1-2-6-16(15)23-11-7-8-13-14(10-11)12-4-3-9-20-17(12)21-18(13)22/h1-10H,(H,20,21,22).
What are the key properties of 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 306.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenoxy)-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58168015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).