propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

C19H21N3O6 — CID 2999242

IUPACpropan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)ccc1O
InChIInChI=1S/C19H21N3O6/c1-8(2)28-18(25)13-9(3)20-16-15(17(24)22-19(26)21-16)14(13)10-5-6-11(23)12(7-10)27-4/h5-8,14,23H,1-4H3,(H3,20,21,22,24,26)
InChIKeyJBIZCMFEZCAKAR-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.56
Rot. Bonds4

About propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2999242) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID2999242
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Namepropan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)ccc1O
InChIInChI=1S/C19H21N3O6/c1-8(2)28-18(25)13-9(3)20-16-15(17(24)22-19(26)21-16)14(13)10-5-6-11(23)12(7-10)27-4/h5-8,14,23H,1-4H3,(H3,20,21,22,24,26)
InChIKeyJBIZCMFEZCAKAR-UHFFFAOYSA-N
XLogP1.56
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

Methyl 7-[3,4-bis(methyloxy)phenyl]-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3139511
Methylethyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
CID 3139535
Methylpropyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,6, 7,8-pentahydroquinoline-3-carboxylate
CID 3141205
Propyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3141210
Ethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3124301
1,4-Dihydro-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-3,5-pyridinedicarboxylic acid diethyl ester
CID 619869
Diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 982783
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester
CID 2848468
Cyclohexylmethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855347
4-Methylcyclohexyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3103253
Isopropyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3141195
Butyl 7-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CID 3141199

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 2999242) is propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is COc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)ccc1O.
What is the InChIKey of propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is JBIZCMFEZCAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-8(2)28-18(25)13-9(3)20-16-15(17(24)22-19(26)21-16)14(13)10-5-6-11(23)12(7-10)27-4/h5-8,14,23H,1-4H3,(H3,20,21,22,24,26).
What are the key properties of propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2999242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).