7-Cyclopropyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
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Basic information
- CAS
1217862-38-8- Standard SMILES
O=C(O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2-c1ccccc1- InChIKey
BQNZTMUWSWSUIN-UHFFFAOYSA-N- Molecular formula
- C17H13N3O4
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.0906059
Names & identifiers
- Preferred name
- 7-Cyclopropyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
- IUPAC
- 7-cyclopropyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid
- English name
- 7-Cyclopropyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahy-dropyrido[2,3-d]pyrimidine-5-carboxylic acid
- Molecular formula
- C17H13N3O4
- Molecular weight
- 323.3
Names & synonyms
1217862-38-87-Cyclopropyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acidMFCD151465507-cyclopropyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylic acid7-cyclopropyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acidpyrido[2,3-d]pyrimidine-5-carboxylic acid, 7-cyclopropyl-1,2,3,4-tetrahydro-2,4-dioxo-1-phenyl-ALBB-014045AKOS005174394LS-04411CS-0338611H305837-cyclopropyl-2,4-dioxo-1-phenyl-pyrido[2,3-d]pyrimidine-5-carboxylic acid
Show more names
7-Cyclopropyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahy-dropyrido[2,3-d]pyrimidine-5-carboxylic acid
7-Cyclopropyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylicacid
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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