9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine

C21H20N4O3 — CID 25060408

IUPAC9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine
SMILESCOCCOc1cc2ncc3c(N)nc(-c4cccnc4)cc3c2cc1OC
InChIInChI=1S/C21H20N4O3/c1-26-6-7-28-20-10-18-15(9-19(20)27-2)14-8-17(13-4-3-5-23-11-13)25-21(22)16(14)12-24-18/h3-5,8-12H,6-7H2,1-2H3,(H2,22,25)
InChIKeyGVERHDSKRDVXKR-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.46
Rot. Bonds6

About 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine

9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine (PubChem CID 25060408) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound Name9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine
PubChem CID25060408
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine
SMILESCOCCOc1cc2ncc3c(N)nc(-c4cccnc4)cc3c2cc1OC
InChIInChI=1S/C21H20N4O3/c1-26-6-7-28-20-10-18-15(9-19(20)27-2)14-8-17(13-4-3-5-23-11-13)25-21(22)16(14)12-24-18/h3-5,8-12H,6-7H2,1-2H3,(H2,22,25)
InChIKeyGVERHDSKRDVXKR-UHFFFAOYSA-N
XLogP3.46
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine 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 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine?
The IUPAC name of 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine (CID 25060408) is 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine?
The canonical SMILES for 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine is COCCOc1cc2ncc3c(N)nc(-c4cccnc4)cc3c2cc1OC.
What is the InChIKey of 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine?
The InChIKey is GVERHDSKRDVXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-26-6-7-28-20-10-18-15(9-19(20)27-2)14-8-17(13-4-3-5-23-11-13)25-21(22)16(14)12-24-18/h3-5,8-12H,6-7H2,1-2H3,(H2,22,25).
What are the key properties of 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine?
9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine has a molecular weight of 376.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[f][2,7]naphthyridin-4-amine is sourced from PubChem (CID 25060408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).