3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C23H20ClN3O3 — CID 17250632

IUPAC3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c(C)cc(C)nc21
InChIInChI=1S/C23H20ClN3O3/c1-14-11-15(2)25-21-20(14)22(28)26(13-16-7-6-8-17(24)12-16)23(29)27(21)18-9-4-5-10-19(18)30-3/h4-12H,13H2,1-3H3
InChIKeyHHKRHCRUTBWGPG-UHFFFAOYSA-N
MW421.88 g/mol
LogP3.87
Rot. Bonds4

About 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17250632) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17250632
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c(C)cc(C)nc21
InChIInChI=1S/C23H20ClN3O3/c1-14-11-15(2)25-21-20(14)22(28)26(13-16-7-6-8-17(24)12-16)23(29)27(21)18-9-4-5-10-19(18)30-3/h4-12H,13H2,1-3H3
InChIKeyHHKRHCRUTBWGPG-UHFFFAOYSA-N
XLogP3.87
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-5,7-dimethyl-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250585
methyl 1-(2-methoxyphenyl)-7-methyl-3-[(3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 50811171
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
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250713
N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 50811242
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755
3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251417
3-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 50811229
1-benzyl-3-(3-methoxy-2-methylphenyl)-7H-purine-2,6-dione
CID 2823236
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
methyl 7-cyclopropyl-3-[(4-ethenylphenyl)methyl]-1-(2-methoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250699

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 17250632) is 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-n1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c(C)cc(C)nc21.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HHKRHCRUTBWGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-14-11-15(2)25-21-20(14)22(28)26(13-16-7-6-8-17(24)12-16)23(29)27(21)18-9-4-5-10-19(18)30-3/h4-12H,13H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 421.88 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-(2-methoxyphenyl)-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17250632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).