10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one

C18H19N3O2 — CID 10267337

IUPAC10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
SMILESO=c1c2ccccc2n(CCN2CCOCC2)c2ncccc12
InChIInChI=1S/C18H19N3O2/c22-17-14-4-1-2-6-16(14)21(18-15(17)5-3-7-19-18)9-8-20-10-12-23-13-11-20/h1-7H,8-13H2
InChIKeyHQVFKNJIGHIUOK-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.88
Rot. Bonds3

About 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one

10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one (PubChem CID 10267337) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
PubChem CID10267337
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
SMILESO=c1c2ccccc2n(CCN2CCOCC2)c2ncccc12
InChIInChI=1S/C18H19N3O2/c22-17-14-4-1-2-6-16(14)21(18-15(17)5-3-7-19-18)9-8-20-10-12-23-13-11-20/h1-7H,8-13H2
InChIKeyHQVFKNJIGHIUOK-UHFFFAOYSA-N
XLogP1.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one 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 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one?
The IUPAC name of 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one (CID 10267337) is 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one?
The canonical SMILES for 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one is O=c1c2ccccc2n(CCN2CCOCC2)c2ncccc12.
What is the InChIKey of 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one?
The InChIKey is HQVFKNJIGHIUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-14-4-1-2-6-16(14)21(18-15(17)5-3-7-19-18)9-8-20-10-12-23-13-11-20/h1-7H,8-13H2.
What are the key properties of 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one?
10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one has a molecular weight of 309.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 10267337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).