7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C22H19N3O4 — CID 146048739

IUPAC7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2ccc3c(=O)[nH]c(=O)n(CCc4ccccc4)c3n2)c(O)c1
InChIInChI=1S/C22H19N3O4/c1-29-15-7-8-16(19(26)13-15)18-10-9-17-20(23-18)25(22(28)24-21(17)27)12-11-14-5-3-2-4-6-14/h2-10,13,26H,11-12H2,1H3,(H,24,27,28)
InChIKeyHVARCGDZBLLOIC-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.71
Rot. Bonds5

About 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 146048739) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID146048739
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2ccc3c(=O)[nH]c(=O)n(CCc4ccccc4)c3n2)c(O)c1
InChIInChI=1S/C22H19N3O4/c1-29-15-7-8-16(19(26)13-15)18-10-9-17-20(23-18)25(22(28)24-21(17)27)12-11-14-5-3-2-4-6-14/h2-10,13,26H,11-12H2,1H3,(H,24,27,28)
InChIKeyHVARCGDZBLLOIC-UHFFFAOYSA-N
XLogP2.71
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 146048739) is 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2ccc3c(=O)[nH]c(=O)n(CCc4ccccc4)c3n2)c(O)c1.
What is the InChIKey of 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HVARCGDZBLLOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-15-7-8-16(19(26)13-15)18-10-9-17-20(23-18)25(22(28)24-21(17)27)12-11-14-5-3-2-4-6-14/h2-10,13,26H,11-12H2,1H3,(H,24,27,28).
What are the key properties of 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 389.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-4-methoxyphenyl)-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146048739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).