2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane

C43H36Cl4N8O4 — CID 157056831

About 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane

2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane (PubChem CID 157056831) has the molecular formula C43H36Cl4N8O4 and a molecular weight of 870.62 g/mol. Its IUPAC name is 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane.

Molecular Properties

• Compound Name: 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane
• PubChem CID: 157056831
• Molecular Formula: C43H36Cl4N8O4
• Molecular Weight: 870.62 g/mol
• Exact Mass: 868.16
• IUPAC Name: 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane
• SMILES: CC(C)(C)On1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccccc3)nc21.ClCCl.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccccc3)nc2n1O
• InChI: InChI=1S/C23H21ClN4O2.C19H13ClN4O2.CH2Cl2/c1-23(2,3)30-28-20-15(13-18(21(28)29)17-11-7-8-12-19(17)24)14-25-22(27-20)26-16-9-5-4-6-10-16;20-16-9-5-4-8-14(16)15-10-12-11-21-19(22-13-6-2-1-3-7-13)23-17(12)24(26)18(15)25;2-1-3/h4-14H,1-3H3,(H,25,26,27);1-11,26H,(H,21,22,23);1H2
• InChIKey: AAVWZGVNPAKCSL-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 149.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	870.62
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane?

The IUPAC name of 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane (CID 157056831) is 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane.

What is the SMILES notation for 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane?

The canonical SMILES for 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane is CC(C)(C)On1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccccc3)nc21.ClCCl.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccccc3)nc2n1O.

What is the InChIKey of 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane?

The InChIKey is AAVWZGVNPAKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2.C19H13ClN4O2.CH2Cl2/c1-23(2,3)30-28-20-15(13-18(21(28)29)17-11-7-8-12-19(17)24)14-25-22(27-20)26-16-9-5-4-6-10-16;20-16-9-5-4-8-14(16)15-10-12-11-21-19(22-13-6-2-1-3-7-13)23-17(12)24(26)18(15)25;2-1-3/h4-14H,1-3H3,(H,25,26,27);1-11,26H,(H,21,22,23);1H2.

What are the key properties of 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane?

2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane has a molecular weight of 870.62 g/mol, XLogP of 10.60, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-6-(2-chlorophenyl)-8-hydroxypyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;dichloromethane is sourced from PubChem (CID 157056831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).