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

C23H21N3O3 — CID 18569435

IUPAC3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3ncccc3n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-16-5-3-6-18(13-16)15-25-20-7-4-12-24-21(20)22(27)26(23(25)28)14-17-8-10-19(29-2)11-9-17/h3-13H,14-15H2,1-2H3
InChIKeyGDNZXGZIJSPCMA-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.97
Rot. Bonds5

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

3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 18569435) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID18569435
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3ncccc3n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-16-5-3-6-18(13-16)15-25-20-7-4-12-24-21(20)22(27)26(23(25)28)14-17-8-10-19(29-2)11-9-17/h3-13H,14-15H2,1-2H3
InChIKeyGDNZXGZIJSPCMA-UHFFFAOYSA-N
XLogP2.97
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione (CID 18569435) is 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is GDNZXGZIJSPCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-5-3-6-18(13-16)15-25-20-7-4-12-24-21(20)22(27)26(23(25)28)14-17-8-10-19(29-2)11-9-17/h3-13H,14-15H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione?
3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18569435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).