6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

C22H18Cl2N4O — CID 10071040

IUPAC6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
InChIInChI=1S/C22H18Cl2N4O/c1-3-13-6-4-7-15(10-13)26-22-25-12-14-11-16(21(29)28(2)20(14)27-22)19-17(23)8-5-9-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27)
InChIKeySQXJLEVGNHLDCC-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.61
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10071040) has the molecular formula C22H18Cl2N4O and a molecular weight of 425.32 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10071040
Molecular FormulaC22H18Cl2N4O
Molecular Weight425.32 g/mol
Exact Mass424.09
IUPAC Name6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
InChIInChI=1S/C22H18Cl2N4O/c1-3-13-6-4-7-15(10-13)26-22-25-12-14-11-16(21(29)28(2)20(14)27-22)19-17(23)8-5-9-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27)
InChIKeySQXJLEVGNHLDCC-UHFFFAOYSA-N
XLogP5.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 10071040) is 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one is CCc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SQXJLEVGNHLDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O/c1-3-13-6-4-7-15(10-13)26-22-25-12-14-11-16(21(29)28(2)20(14)27-22)19-17(23)8-5-9-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 425.32 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-(3-ethylanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10071040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).