N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide

C15H12ClN3O2 — CID 86710349

IUPACN-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(=O)n(C)c1cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O2/c1-8(20)18-14-6-11-10-4-3-9(16)5-13(10)19(2)15(21)12(11)7-17-14/h3-7H,1-2H3,(H,17,18,20)
InChIKeyZPIDLGSMBZCKGX-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.70
Rot. Bonds1

About N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide

N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide (PubChem CID 86710349) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide
PubChem CID86710349
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(=O)n(C)c1cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O2/c1-8(20)18-14-6-11-10-4-3-9(16)5-13(10)19(2)15(21)12(11)7-17-14/h3-7H,1-2H3,(H,17,18,20)
InChIKeyZPIDLGSMBZCKGX-UHFFFAOYSA-N
XLogP2.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide?
The IUPAC name of N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide (CID 86710349) is N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide?
The canonical SMILES for N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide is CC(=O)Nc1cc2c(cn1)c(=O)n(C)c1cc(Cl)ccc21.
What is the InChIKey of N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide?
The InChIKey is ZPIDLGSMBZCKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-8(20)18-14-6-11-10-4-3-9(16)5-13(10)19(2)15(21)12(11)7-17-14/h3-7H,1-2H3,(H,17,18,20).
What are the key properties of N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide?
N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide has a molecular weight of 301.73 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide is sourced from PubChem (CID 86710349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).