2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C27H24N4O3 — CID 10026867

IUPAC2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(C2Cc3cnc(Nc4ccccc4)nc3N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C27H24N4O3/c1-33-23-14-13-18(16-24(23)34-2)22-15-19-17-28-27(29-20-9-5-3-6-10-20)30-25(19)31(26(22)32)21-11-7-4-8-12-21/h3-14,16-17,22H,15H2,1-2H3,(H,28,29,30)
InChIKeyQUIYHXLKXVLUBW-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.24
Rot. Bonds6

About 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10026867) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10026867
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(C2Cc3cnc(Nc4ccccc4)nc3N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C27H24N4O3/c1-33-23-14-13-18(16-24(23)34-2)22-15-19-17-28-27(29-20-9-5-3-6-10-20)30-25(19)31(26(22)32)21-11-7-4-8-12-21/h3-14,16-17,22H,15H2,1-2H3,(H,28,29,30)
InChIKeyQUIYHXLKXVLUBW-UHFFFAOYSA-N
XLogP5.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 10026867) is 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1ccc(C2Cc3cnc(Nc4ccccc4)nc3N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QUIYHXLKXVLUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-33-23-14-13-18(16-24(23)34-2)22-15-19-17-28-27(29-20-9-5-3-6-10-20)30-25(19)31(26(22)32)21-11-7-4-8-12-21/h3-14,16-17,22H,15H2,1-2H3,(H,28,29,30).
What are the key properties of 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 452.51 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(3,4-dimethoxyphenyl)-8-phenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10026867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).