methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate

C15H10FN3O3 — CID 169243031

IUPACmethyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c(=O)[nH]cnc12
InChIInChI=1S/C15H10FN3O3/c1-22-15(21)10-6-11(8-2-4-9(16)5-3-8)19-13-12(10)17-7-18-14(13)20/h2-7H,1H3,(H,17,18,20)
InChIKeyKZCZNNIYZMIOSE-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.91
Rot. Bonds2

About methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate

methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate (PubChem CID 169243031) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate
PubChem CID169243031
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Namemethyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c(=O)[nH]cnc12
InChIInChI=1S/C15H10FN3O3/c1-22-15(21)10-6-11(8-2-4-9(16)5-3-8)19-13-12(10)17-7-18-14(13)20/h2-7H,1H3,(H,17,18,20)
InChIKeyKZCZNNIYZMIOSE-UHFFFAOYSA-N
XLogP1.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]benzoate
CID 137333605
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
(4-methoxycarbonylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648192
methyl 6,7-difluoro-3H-benzimidazole-4-carboxylate
CID 122686803
6-(4-fluorophenyl)-8-propanoyl-3H-quinazolin-4-one
CID 155728191
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972
methyl 7-fluoro-6-(4-methylanilino)-3H-benzimidazole-5-carboxylate
CID 142807797

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate?
The IUPAC name of methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate (CID 169243031) is methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)nc2c(=O)[nH]cnc12.
What is the InChIKey of methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate?
The InChIKey is KZCZNNIYZMIOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c1-22-15(21)10-6-11(8-2-4-9(16)5-3-8)19-13-12(10)17-7-18-14(13)20/h2-7H,1H3,(H,17,18,20).
What are the key properties of methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate?
methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate has a molecular weight of 299.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-4-oxo-3H-pyrido[3,2-d]pyrimidine-8-carboxylate is sourced from PubChem (CID 169243031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).