pyrimido[2,1-a][2,6]naphthyridin-4-one

C11H7N3O — CID 140590865

IUPACpyrimido[2,1-a][2,6]naphthyridin-4-one
SMILESO=c1ccnc2c3ccncc3ccn12
InChIInChI=1S/C11H7N3O/c15-10-2-5-13-11-9-1-4-12-7-8(9)3-6-14(10)11/h1-7H
InChIKeyGWVCISZZALOEMG-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.24
Rot. Bonds

About pyrimido[2,1-a][2,6]naphthyridin-4-one

pyrimido[2,1-a][2,6]naphthyridin-4-one (PubChem CID 140590865) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is pyrimido[2,1-a][2,6]naphthyridin-4-one.

Molecular Properties

Compound Namepyrimido[2,1-a][2,6]naphthyridin-4-one
PubChem CID140590865
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Namepyrimido[2,1-a][2,6]naphthyridin-4-one
SMILESO=c1ccnc2c3ccncc3ccn12
InChIInChI=1S/C11H7N3O/c15-10-2-5-13-11-9-1-4-12-7-8(9)3-6-14(10)11/h1-7H
InChIKeyGWVCISZZALOEMG-UHFFFAOYSA-N
XLogP1.24
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 pyrimido[2,1-a][2,6]naphthyridin-4-one?
The IUPAC name of pyrimido[2,1-a][2,6]naphthyridin-4-one (CID 140590865) is pyrimido[2,1-a][2,6]naphthyridin-4-one.
What is the SMILES notation for pyrimido[2,1-a][2,6]naphthyridin-4-one?
The canonical SMILES for pyrimido[2,1-a][2,6]naphthyridin-4-one is O=c1ccnc2c3ccncc3ccn12.
What is the InChIKey of pyrimido[2,1-a][2,6]naphthyridin-4-one?
The InChIKey is GWVCISZZALOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-10-2-5-13-11-9-1-4-12-7-8(9)3-6-14(10)11/h1-7H.
What are the key properties of pyrimido[2,1-a][2,6]naphthyridin-4-one?
pyrimido[2,1-a][2,6]naphthyridin-4-one has a molecular weight of 197.20 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[2,1-a][2,6]naphthyridin-4-one is sourced from PubChem (CID 140590865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).