4H-benzo[f][1,8]naphthyridin-3-one

C12H8N2O — CID 54567085

IUPAC4H-benzo[f][1,8]naphthyridin-3-one
SMILESO=c1ccc2c(ncc3ccccc32)[nH]1
InChIInChI=1S/C12H8N2O/c15-11-6-5-10-9-4-2-1-3-8(9)7-13-12(10)14-11/h1-7H,(H,13,14,15)
InChIKeyZUPKJMPQWVDGRI-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.08
Rot. Bonds

About 4H-benzo[f][1,8]naphthyridin-3-one

4H-benzo[f][1,8]naphthyridin-3-one (PubChem CID 54567085) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4H-benzo[f][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name4H-benzo[f][1,8]naphthyridin-3-one
PubChem CID54567085
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name4H-benzo[f][1,8]naphthyridin-3-one
SMILESO=c1ccc2c(ncc3ccccc32)[nH]1
InChIInChI=1S/C12H8N2O/c15-11-6-5-10-9-4-2-1-3-8(9)7-13-12(10)14-11/h1-7H,(H,13,14,15)
InChIKeyZUPKJMPQWVDGRI-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-1H-1,8-naphthyridin-2-one
CID 175293042
phenanthridine
CID 9189
1H-benzo[h]quinolin-2-one
CID 12539195
phenanthridine;platinum(2+)
CID 23616726
2-(hydroxymethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142266200
pyrrolo[3,4-c]isoquinoline-1,3-dione
CID 165077456
7-isoquinolin-4-yl-1H-quinolin-2-one
CID 167814827
5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one
CID 89113718
5-ethenyl-1H-1,8-naphthyridin-2-one
CID 91107256
16,31,51,66-tetrazaundecacyclo[65.3.1.14,8.111,15.132,36.139,43.146,50.018,23.024,29.053,58.059,64]hexaheptaconta-1(71),4(76),5,7,11(75),12,14,16,18,20,22,24,26,28,30,32,34,36(74),39,41,43(73),46(72),47,49,51,53,55,57,59,61,63,65,67,69-tetratriacontaen-2,9,37,44-tetrayne
CID 101474294
5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
CID 23335375
7-amino-5-phenyl-1H-1,8-naphthyridin-2-one
CID 5480628

Frequently Asked Questions

What is the IUPAC name of 4H-benzo[f][1,8]naphthyridin-3-one?
The IUPAC name of 4H-benzo[f][1,8]naphthyridin-3-one (CID 54567085) is 4H-benzo[f][1,8]naphthyridin-3-one.
What is the SMILES notation for 4H-benzo[f][1,8]naphthyridin-3-one?
The canonical SMILES for 4H-benzo[f][1,8]naphthyridin-3-one is O=c1ccc2c(ncc3ccccc32)[nH]1.
What is the InChIKey of 4H-benzo[f][1,8]naphthyridin-3-one?
The InChIKey is ZUPKJMPQWVDGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-11-6-5-10-9-4-2-1-3-8(9)7-13-12(10)14-11/h1-7H,(H,13,14,15).
What are the key properties of 4H-benzo[f][1,8]naphthyridin-3-one?
4H-benzo[f][1,8]naphthyridin-3-one has a molecular weight of 196.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzo[f][1,8]naphthyridin-3-one is sourced from PubChem (CID 54567085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).