9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C29H23F3N4O3 — CID 46190796

IUPAC9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCOCC6)c(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C29H23F3N4O3/c1-38-26-8-3-19(16-34-26)18-2-6-24-22(14-18)28-20(17-33-24)4-9-27(37)36(28)21-5-7-25(23(15-21)29(30,31)32)35-10-12-39-13-11-35/h2-9,14-17H,10-13H2,1H3
InChIKeyIUDJQOWYXYDFOD-UHFFFAOYSA-N
MW532.52 g/mol
LogP5.46
Rot. Bonds4

About 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 46190796) has the molecular formula C29H23F3N4O3 and a molecular weight of 532.52 g/mol. Its IUPAC name is 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
PubChem CID46190796
Molecular FormulaC29H23F3N4O3
Molecular Weight532.52 g/mol
Exact Mass532.17
IUPAC Name9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCOCC6)c(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C29H23F3N4O3/c1-38-26-8-3-19(16-34-26)18-2-6-24-22(14-18)28-20(17-33-24)4-9-27(37)36(28)21-5-7-25(23(15-21)29(30,31)32)35-10-12-39-13-11-35/h2-9,14-17H,10-13H2,1H3
InChIKeyIUDJQOWYXYDFOD-UHFFFAOYSA-N
XLogP5.46
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[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 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 46190796) is 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCOCC6)c(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The InChIKey is IUDJQOWYXYDFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O3/c1-38-26-8-3-19(16-34-26)18-2-6-24-22(14-18)28-20(17-33-24)4-9-27(37)36(28)21-5-7-25(23(15-21)29(30,31)32)35-10-12-39-13-11-35/h2-9,14-17H,10-13H2,1H3.
What are the key properties of 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 532.52 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxy-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 46190796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).