1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one

C16H11N3O — CID 11054437

IUPAC1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one
SMILESCc1ccccc1N1C(=O)c2cc3cccnc3nc21
InChIInChI=1S/C16H11N3O/c1-10-5-2-3-7-13(10)19-15-12(16(19)20)9-11-6-4-8-17-14(11)18-15/h2-9H,1H3
InChIKeyCXEKZMWSIZNMED-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.23
Rot. Bonds1

About 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one

1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one (PubChem CID 11054437) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one
PubChem CID11054437
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one
SMILESCc1ccccc1N1C(=O)c2cc3cccnc3nc21
InChIInChI=1S/C16H11N3O/c1-10-5-2-3-7-13(10)19-15-12(16(19)20)9-11-6-4-8-17-14(11)18-15/h2-9H,1H3
InChIKeyCXEKZMWSIZNMED-UHFFFAOYSA-N
XLogP3.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 695615
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
CID 140884144
CID 140884144
6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59572319
5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione
CID 1301025
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
3-methyl-10-(2-methylphenyl)-5H-pyrido[2,3-b][1,8]naphthyridine
CID 59573511
6-methyl-2-(2-methylphenyl)-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572302
3-methyl-1,8-naphthyridin-2-amine
CID 89289464
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
CID 45093444
1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 54098498
3-(2,4-dimethylphenyl)-1-(2-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580391

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one?
The IUPAC name of 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one (CID 11054437) is 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one.
What is the SMILES notation for 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one?
The canonical SMILES for 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one is Cc1ccccc1N1C(=O)c2cc3cccnc3nc21.
What is the InChIKey of 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one?
The InChIKey is CXEKZMWSIZNMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-10-5-2-3-7-13(10)19-15-12(16(19)20)9-11-6-4-8-17-14(11)18-15/h2-9H,1H3.
What are the key properties of 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one?
1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one has a molecular weight of 261.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)azeto[2,3-b][1,8]naphthyridin-2-one is sourced from PubChem (CID 11054437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).