2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C28H24N4O — CID 18374839

IUPAC2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1CCc1ccccc1
InChIInChI=1S/C28H24N4O/c33-26-18-17-23-19-29-28(30-25-13-5-2-6-14-25)31-27(23)32(26)20-24-12-8-7-11-22(24)16-15-21-9-3-1-4-10-21/h1-14,17-19H,15-16,20H2,(H,29,30,31)
InChIKeyUKBKAIPJLZUZAZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.37
Rot. Bonds7

About 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374839) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374839
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Name2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1CCc1ccccc1
InChIInChI=1S/C28H24N4O/c33-26-18-17-23-19-29-28(30-25-13-5-2-6-14-25)31-27(23)32(26)20-24-12-8-7-11-22(24)16-15-21-9-3-1-4-10-21/h1-14,17-19H,15-16,20H2,(H,29,30,31)
InChIKeyUKBKAIPJLZUZAZ-UHFFFAOYSA-N
XLogP5.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 18374839) is 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1CCc1ccccc1.
What is the InChIKey of 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UKBKAIPJLZUZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O/c33-26-18-17-23-19-29-28(30-25-13-5-2-6-14-25)31-27(23)32(26)20-24-12-8-7-11-22(24)16-15-21-9-3-1-4-10-21/h1-14,17-19H,15-16,20H2,(H,29,30,31).
What are the key properties of 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 432.53 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).