ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

C19H18ClN3O5 — CID 2123517

IUPACethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2CCOC
InChIInChI=1S/C19H18ClN3O5/c1-3-28-18(25)13-10-14(11-4-6-12(20)7-5-11)21-16-15(13)17(24)22-19(26)23(16)8-9-27-2/h4-7,10H,3,8-9H2,1-2H3,(H,22,24,26)
InChIKeyCAQBGBVWJBALIK-UHFFFAOYSA-N
MW403.82 g/mol
LogP2.23
Rot. Bonds6

About ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 2123517) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID2123517
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Nameethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2CCOC
InChIInChI=1S/C19H18ClN3O5/c1-3-28-18(25)13-10-14(11-4-6-12(20)7-5-11)21-16-15(13)17(24)22-19(26)23(16)8-9-27-2/h4-7,10H,3,8-9H2,1-2H3,(H,22,24,26)
InChIKeyCAQBGBVWJBALIK-UHFFFAOYSA-N
XLogP2.23
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

Ethyl 1-benzyl-7-(4-fluorophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2473907
Methyl 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
CID 1506146
2,4-dioxo-7-phenyl-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 4962857
Ethyl 1-benzyl-7-(4-nitrophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2431644
1-Benzyl-3-methyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 9319232
Methyl 1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
CID 1518526
Ethyl 4-(4-chlorophenyl)-2-morpholin-4-yl-6-phenylpyridine-3-carboxylate
CID 11475732
Ethyl 4-(4-chlorophenyl)-6-phenyl-2-piperidin-1-ylpyridine-3-carboxylate
CID 57396864
Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester
CID 3073206
Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-2,4-dioxo-7-methyl-3-phenyl-, ethyl ester
CID 3074610
Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(2-propenyl)-, ethyl ester
CID 3076488
Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(phenylmethyl)-, ethyl ester
CID 3076489

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate (CID 2123517) is ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2CCOC.
What is the InChIKey of ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is CAQBGBVWJBALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-3-28-18(25)13-10-14(11-4-6-12(20)7-5-11)21-16-15(13)17(24)22-19(26)23(16)8-9-27-2/h4-7,10H,3,8-9H2,1-2H3,(H,22,24,26).
What are the key properties of ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate?
ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 403.82 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 2123517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).