N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide

C22H20N4O4 — CID 43865190

IUPACN-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide
SMILESCOCCn1ccc2nc3ccn(-c4ccc(NC(C)=O)cc4)c(=O)c3cc2c1=O
InChIInChI=1S/C22H20N4O4/c1-14(27)23-15-3-5-16(6-4-15)26-10-8-20-18(22(26)29)13-17-19(24-20)7-9-25(21(17)28)11-12-30-2/h3-10,13H,11-12H2,1-2H3,(H,23,27)
InChIKeyZFZBJIHETMBDOS-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.31
Rot. Bonds5

About N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide

N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide (PubChem CID 43865190) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide
PubChem CID43865190
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide
SMILESCOCCn1ccc2nc3ccn(-c4ccc(NC(C)=O)cc4)c(=O)c3cc2c1=O
InChIInChI=1S/C22H20N4O4/c1-14(27)23-15-3-5-16(6-4-15)26-10-8-20-18(22(26)29)13-17-19(24-20)7-9-25(21(17)28)11-12-30-2/h3-10,13H,11-12H2,1-2H3,(H,23,27)
InChIKeyZFZBJIHETMBDOS-UHFFFAOYSA-N
XLogP2.31
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]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-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide (CID 43865190) is N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide is COCCn1ccc2nc3ccn(-c4ccc(NC(C)=O)cc4)c(=O)c3cc2c1=O.
What is the InChIKey of N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide?
The InChIKey is ZFZBJIHETMBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-14(27)23-15-3-5-16(6-4-15)26-10-8-20-18(22(26)29)13-17-19(24-20)7-9-25(21(17)28)11-12-30-2/h3-10,13H,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide?
N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide is sourced from PubChem (CID 43865190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).