1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C22H19N3O3 — CID 17250672

IUPAC1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)n(Cc2ccccc2C)c(=O)c2cccnc21
InChIInChI=1S/C22H19N3O3/c1-15-8-3-4-9-16(15)14-24-21(26)17-10-7-13-23-20(17)25(22(24)27)18-11-5-6-12-19(18)28-2/h3-13H,14H2,1-2H3
InChIKeyHODQKWNZIQREJG-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17250672) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17250672
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)n(Cc2ccccc2C)c(=O)c2cccnc21
InChIInChI=1S/C22H19N3O3/c1-15-8-3-4-9-16(15)14-24-21(26)17-10-7-13-23-20(17)25(22(24)27)18-11-5-6-12-19(18)28-2/h3-13H,14H2,1-2H3
InChIKeyHODQKWNZIQREJG-UHFFFAOYSA-N
XLogP2.91
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 17250672) is 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-n1c(=O)n(Cc2ccccc2C)c(=O)c2cccnc21.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HODQKWNZIQREJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15-8-3-4-9-16(15)14-24-21(26)17-10-7-13-23-20(17)25(22(24)27)18-11-5-6-12-19(18)28-2/h3-13H,14H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 373.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17250672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).