4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide

C20H16N4O2 — CID 163558887

IUPAC4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide
SMILESCn1c(=O)c2ccc(Nc3ccc(C(N)=O)cc3)cc2c2cccnc21
InChIInChI=1S/C20H16N4O2/c1-24-19-15(3-2-10-22-19)17-11-14(8-9-16(17)20(24)26)23-13-6-4-12(5-7-13)18(21)25/h2-11,23H,1H3,(H2,21,25)
InChIKeyFPMCSBMOKDLLSB-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.93
Rot. Bonds3

About 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide

4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide (PubChem CID 163558887) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide
PubChem CID163558887
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide
SMILESCn1c(=O)c2ccc(Nc3ccc(C(N)=O)cc3)cc2c2cccnc21
InChIInChI=1S/C20H16N4O2/c1-24-19-15(3-2-10-22-19)17-11-14(8-9-16(17)20(24)26)23-13-6-4-12(5-7-13)18(21)25/h2-11,23H,1H3,(H2,21,25)
InChIKeyFPMCSBMOKDLLSB-UHFFFAOYSA-N
XLogP2.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide?
The IUPAC name of 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide (CID 163558887) is 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide.
What is the SMILES notation for 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide?
The canonical SMILES for 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide is Cn1c(=O)c2ccc(Nc3ccc(C(N)=O)cc3)cc2c2cccnc21.
What is the InChIKey of 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide?
The InChIKey is FPMCSBMOKDLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-19-15(3-2-10-22-19)17-11-14(8-9-16(17)20(24)26)23-13-6-4-12(5-7-13)18(21)25/h2-11,23H,1H3,(H2,21,25).
What are the key properties of 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide?
4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide has a molecular weight of 344.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-6-oxobenzo[c][1,8]naphthyridin-9-yl)amino]benzamide is sourced from PubChem (CID 163558887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).