methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate

C24H21N3O5 — CID 18569445

IUPACmethyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C24H21N3O5/c1-31-19-11-7-17(8-12-19)15-27-22(28)21-20(4-3-13-25-21)26(24(27)30)14-16-5-9-18(10-6-16)23(29)32-2/h3-13H,14-15H2,1-2H3
InChIKeyGMCRYQJLMWPPJL-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.45
Rot. Bonds6

About methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate

methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate (PubChem CID 18569445) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate
PubChem CID18569445
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Namemethyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C24H21N3O5/c1-31-19-11-7-17(8-12-19)15-27-22(28)21-20(4-3-13-25-21)26(24(27)30)14-16-5-9-18(10-6-16)23(29)32-2/h3-13H,14-15H2,1-2H3
InChIKeyGMCRYQJLMWPPJL-UHFFFAOYSA-N
XLogP2.45
TPSA92.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664086
4-((6-(4-methoxybenzylcarbamoyl)-4-oxopyrido[3,4-d]pyrimidin-3(4H)-yl)methyl)benzoic acid
CID 11259332
5-Benzyl-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[3,4-d]pyrimidine-2,4-dione
CID 118874989
1-[(4-Phenoxyphenyl)methyl]-3-(1-prop-2-enoylpiperidin-3-yl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 139552342
5-(4-Methoxyphenyl)-1,3-dimethyl-6-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 661066
3-(4-methoxybenzyl)-4-oxo-N-(pyridin-3-ylmethyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 3542917
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 10582623
3-(4-methoxybenzyl)-7-(4-(pyridin-2-yl)piperazine-1-carbonyl)quinazoline-2,4(1H,3H)-dione
CID 16000758
Ethyl 4-(4-methoxybenzyl)-1-(5-quinoxalinylcarbonyl)-4-piperidinecarboxylate
CID 16190650
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-3-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664142
N-(3-fluoro-4-methylphenyl)-2-{3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}acetamide
CID 16010790
1-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 16010791

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate (CID 18569445) is methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3ncccc32)cc1.
What is the InChIKey of methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate?
The InChIKey is GMCRYQJLMWPPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-31-19-11-7-17(8-12-19)15-27-22(28)21-20(4-3-13-25-21)26(24(27)30)14-16-5-9-18(10-6-16)23(29)32-2/h3-13H,14-15H2,1-2H3.
What are the key properties of methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate?
methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate has a molecular weight of 431.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]methyl]benzoate is sourced from PubChem (CID 18569445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).