6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one

C28H20ClN3O2 — CID 137438603

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(CC(=O)c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C28H20ClN3O2/c1-17-12-20(14-25(29)31-17)22-15-23-27(34)21(13-24(33)18-8-4-2-5-9-18)16-30-28(23)32-26(22)19-10-6-3-7-11-19/h2-12,14-16H,13H2,1H3,(H,30,32,34)
InChIKeyXBAXPIGNNBPEJG-UHFFFAOYSA-N
MW465.94 g/mol
LogP6.04
Rot. Bonds5

About 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438603) has the molecular formula C28H20ClN3O2 and a molecular weight of 465.94 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438603
Molecular FormulaC28H20ClN3O2
Molecular Weight465.94 g/mol
Exact Mass465.12
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)c(CC(=O)c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C28H20ClN3O2/c1-17-12-20(14-25(29)31-17)22-15-23-27(34)21(13-24(33)18-8-4-2-5-9-18)16-30-28(23)32-26(22)19-10-6-3-7-11-19/h2-12,14-16H,13H2,1H3,(H,30,32,34)
InChIKeyXBAXPIGNNBPEJG-UHFFFAOYSA-N
XLogP6.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-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 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438603) is 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)c(CC(=O)c4ccccc4)c[nH]c3nc2-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is XBAXPIGNNBPEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN3O2/c1-17-12-20(14-25(29)31-17)22-15-23-27(34)21(13-24(33)18-8-4-2-5-9-18)16-30-28(23)32-26(22)19-10-6-3-7-11-19/h2-12,14-16H,13H2,1H3,(H,30,32,34).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 465.94 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).