1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

C28H18FN3O2 — CID 58525219

IUPAC1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCOc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F
InChIInChI=1S/C28H18FN3O2/c1-34-26-14-21(8-9-23(26)29)32-27(33)11-7-19-15-31-25-10-6-17(13-22(25)28(19)32)20-12-18-4-2-3-5-24(18)30-16-20/h2-16H,1H3
InChIKeyLSJLAJRDOCYQMO-UHFFFAOYSA-N
MW447.47 g/mol
LogP5.90
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one

1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 58525219) has the molecular formula C28H18FN3O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
PubChem CID58525219
Molecular FormulaC28H18FN3O2
Molecular Weight447.47 g/mol
Exact Mass447.14
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
SMILESCOc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F
InChIInChI=1S/C28H18FN3O2/c1-34-26-14-21(8-9-23(26)29)32-27(33)11-7-19-15-31-25-10-6-17(13-22(25)28(19)32)20-12-18-4-2-3-5-24(18)30-16-20/h2-16H,1H3
InChIKeyLSJLAJRDOCYQMO-UHFFFAOYSA-N
XLogP5.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.47
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-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 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 58525219) is 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is COc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
The InChIKey is LSJLAJRDOCYQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3O2/c1-34-26-14-21(8-9-23(26)29)32-27(33)11-7-19-15-31-25-10-6-17(13-22(25)28(19)32)20-12-18-4-2-3-5-24(18)30-16-20/h2-16H,1H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one?
1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 447.47 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 58525219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).