4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide

C30H25ClN4O3 — CID 134438168

IUPAC4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide
SMILESO=C(NC1CN(CCO)C1)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1
InChIInChI=1S/C30H25ClN4O3/c31-23-7-1-19(2-8-23)21-5-11-27-26(15-21)29-22(16-32-27)6-12-28(37)35(29)25-9-3-20(4-10-25)30(38)33-24-17-34(18-24)13-14-36/h1-12,15-16,24,36H,13-14,17-18H2,(H,33,38)
InChIKeyRDUIOICRONRAAR-UHFFFAOYSA-N
MW525.01 g/mol
LogP4.27
Rot. Bonds6

About 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide

4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide (PubChem CID 134438168) has the molecular formula C30H25ClN4O3 and a molecular weight of 525.01 g/mol. Its IUPAC name is 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide
PubChem CID134438168
Molecular FormulaC30H25ClN4O3
Molecular Weight525.01 g/mol
Exact Mass524.16
IUPAC Name4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide
SMILESO=C(NC1CN(CCO)C1)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1
InChIInChI=1S/C30H25ClN4O3/c31-23-7-1-19(2-8-23)21-5-11-27-26(15-21)29-22(16-32-27)6-12-28(37)35(29)25-9-3-20(4-10-25)30(38)33-24-17-34(18-24)13-14-36/h1-12,15-16,24,36H,13-14,17-18H2,(H,33,38)
InChIKeyRDUIOICRONRAAR-UHFFFAOYSA-N
XLogP4.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.01
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide 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 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide?
The IUPAC name of 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide (CID 134438168) is 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide.
What is the SMILES notation for 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide?
The canonical SMILES for 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide is O=C(NC1CN(CCO)C1)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1.
What is the InChIKey of 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide?
The InChIKey is RDUIOICRONRAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN4O3/c31-23-7-1-19(2-8-23)21-5-11-27-26(15-21)29-22(16-32-27)6-12-28(37)35(29)25-9-3-20(4-10-25)30(38)33-24-17-34(18-24)13-14-36/h1-12,15-16,24,36H,13-14,17-18H2,(H,33,38).
What are the key properties of 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide?
4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide has a molecular weight of 525.01 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-(2-hydroxyethyl)azetidin-3-yl]benzamide is sourced from PubChem (CID 134438168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).