3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane

C90H86AlCl5N12O9 — CID 158697937

IUPAC3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane
SMILESCCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1Nc1ccccc1.COC(=O)Cc1cc(N)ccc1C.C[Al](C)C.Cc1cc2c(cn1)cc(-c1cc(N)ccc1C)c(=O)n2-c1ccccc1.Cc1ccc(N)cc1-c1cc2cnc(Cl)cc2n(-c2ccccc2)c1=O.O=Cc1cnc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C22H19N3O.C21H16ClN3O.C14H13ClN2O2.C12H9ClN2O.C10H13NO2.C8H7Cl2NO2.3CH3.Al/c1-14-8-9-17(23)12-19(14)20-11-16-13-24-15(2)10-21(16)25(22(20)26)18-6-4-3-5-7-18;1-13-7-8-15(23)10-17(13)18-9-14-12-24-20(22)11-19(14)25(21(18)26)16-5-3-2-4-6-16;1-2-19-14(18)11-9-16-13(15)8-12(11)17-10-6-4-3-5-7-10;13-12-6-11(9(8-16)7-14-12)15-10-4-2-1-3-5-10;1-7-3-4-9(11)5-8(7)6-10(12)13-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;;;;/h3-13H,23H2,1-2H3;2-12H,23H2,1H3;3-9H,2H2,1H3,(H,16,17);1-8H,(H,14,15);3-5H,6,11H2,1-2H3;3-4H,2H2,1H3;3*1H3;
InChIKeyVGGDTBLSPNJEMW-UHFFFAOYSA-N
MW1684.00 g/mol
LogP21.02
Rot. Bonds15

About 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane

3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane (PubChem CID 158697937) has the molecular formula C90H86AlCl5N12O9 and a molecular weight of 1684.00 g/mol. Its IUPAC name is 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane.

Molecular Properties

Compound Name3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane
PubChem CID158697937
Molecular FormulaC90H86AlCl5N12O9
Molecular Weight1684.00 g/mol
Exact Mass1680.49
IUPAC Name3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane
SMILESCCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1Nc1ccccc1.COC(=O)Cc1cc(N)ccc1C.C[Al](C)C.Cc1cc2c(cn1)cc(-c1cc(N)ccc1C)c(=O)n2-c1ccccc1.Cc1ccc(N)cc1-c1cc2cnc(Cl)cc2n(-c2ccccc2)c1=O.O=Cc1cnc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C22H19N3O.C21H16ClN3O.C14H13ClN2O2.C12H9ClN2O.C10H13NO2.C8H7Cl2NO2.3CH3.Al/c1-14-8-9-17(23)12-19(14)20-11-16-13-24-15(2)10-21(16)25(22(20)26)18-6-4-3-5-7-18;1-13-7-8-15(23)10-17(13)18-9-14-12-24-20(22)11-19(14)25(21(18)26)16-5-3-2-4-6-16;1-2-19-14(18)11-9-16-13(15)8-12(11)17-10-6-4-3-5-7-10;13-12-6-11(9(8-16)7-14-12)15-10-4-2-1-3-5-10;1-7-3-4-9(11)5-8(7)6-10(12)13-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;;;;/h3-13H,23H2,1-2H3;2-12H,23H2,1H3;3-9H,2H2,1H3,(H,16,17);1-8H,(H,14,15);3-5H,6,11H2,1-2H3;3-4H,2H2,1H3;3*1H3;
InChIKeyVGGDTBLSPNJEMW-UHFFFAOYSA-N
XLogP21.02
TPSA306.54 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001684.00
LogP ≤ 521.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane 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 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
The IUPAC name of 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane (CID 158697937) is 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane.
What is the SMILES notation for 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
The canonical SMILES for 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane is CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1Nc1ccccc1.COC(=O)Cc1cc(N)ccc1C.C[Al](C)C.Cc1cc2c(cn1)cc(-c1cc(N)ccc1C)c(=O)n2-c1ccccc1.Cc1ccc(N)cc1-c1cc2cnc(Cl)cc2n(-c2ccccc2)c1=O.O=Cc1cnc(Cl)cc1Nc1ccccc1.
What is the InChIKey of 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
The InChIKey is VGGDTBLSPNJEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O.C21H16ClN3O.C14H13ClN2O2.C12H9ClN2O.C10H13NO2.C8H7Cl2NO2.3CH3.Al/c1-14-8-9-17(23)12-19(14)20-11-16-13-24-15(2)10-21(16)25(22(20)26)18-6-4-3-5-7-18;1-13-7-8-15(23)10-17(13)18-9-14-12-24-20(22)11-19(14)25(21(18)26)16-5-3-2-4-6-16;1-2-19-14(18)11-9-16-13(15)8-12(11)17-10-6-4-3-5-7-10;13-12-6-11(9(8-16)7-14-12)15-10-4-2-1-3-5-10;1-7-3-4-9(11)5-8(7)6-10(12)13-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;;;;/h3-13H,23H2,1-2H3;2-12H,23H2,1H3;3-9H,2H2,1H3,(H,16,17);1-8H,(H,14,15);3-5H,6,11H2,1-2H3;3-4H,2H2,1H3;3*1H3;.
What are the key properties of 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane?
3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane has a molecular weight of 1684.00 g/mol, XLogP of 21.02, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylphenyl)-7-chloro-1-phenyl-1,6-naphthyridin-2-one;3-(5-amino-2-methylphenyl)-7-methyl-1-phenyl-1,6-naphthyridin-2-one;4-anilino-6-chloropyridine-3-carbaldehyde;ethyl 4-anilino-6-chloropyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 2-(5-amino-2-methylphenyl)acetate;trimethylalumane is sourced from PubChem (CID 158697937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).