methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C25H23N3O5 — CID 50811171

IUPACmethyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2-c1ccccc1OC
InChIInChI=1S/C25H23N3O5/c1-15-8-7-9-17(12-15)14-27-23(29)21-18(24(30)33-4)13-16(2)26-22(21)28(25(27)31)19-10-5-6-11-20(19)32-3/h5-13H,14H2,1-4H3
InChIKeySZSUICWKZPVJIY-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.01
Rot. Bonds5

About methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 50811171) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID50811171
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Namemethyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2-c1ccccc1OC
InChIInChI=1S/C25H23N3O5/c1-15-8-7-9-17(12-15)14-27-23(29)21-18(24(30)33-4)13-16(2)26-22(21)28(25(27)31)19-10-5-6-11-20(19)32-3/h5-13H,14H2,1-4H3
InChIKeySZSUICWKZPVJIY-UHFFFAOYSA-N
XLogP3.01
TPSA92.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50811139
3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 17250632
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250728
methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250699
1-(2-methoxyphenyl)-5,7-dimethyl-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250585
methyl 7-methyl-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250556
methyl 3-[(3-cyanophenyl)methyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50812724
N-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250594
N-(2,4-difluorophenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250614
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
3-[(3-methoxyphenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 53096930
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250713

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 50811171) is methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2-c1ccccc1OC.
What is the InChIKey of methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is SZSUICWKZPVJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-15-8-7-9-17(12-15)14-27-23(29)21-18(24(30)33-4)13-16(2)26-22(21)28(25(27)31)19-10-5-6-11-20(19)32-3/h5-13H,14H2,1-4H3.
What are the key properties of methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 445.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 50811171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).