5-[[2,4-Dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl]-2-fluorobenzoic Acid - CAS 1399119-66-4
Catalog: |
BB009001 |
Product Name: |
5-[[2,4-Dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl]-2-fluorobenzoic Acid |
CAS: |
1399119-66-4 |
Synonyms: |
5-[(2,4-dioxo-1-quinazolinyl)methyl]-2-fluorobenzoic acid; 5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzoic acid |
IUPAC Name: | 5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzoic acid |
Description: | 5-[[2,4-Dioxo-3,4-dihydroquinazolin-1(2H)-yl]methyl]-2-fluorobenzoic Acid (CAS# 1399119-66-4 ) is a useful research chemical. |
Molecular Weight: | 314.27 |
Molecular Formula: | C16H11FN2O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NC(=O)N2CC3=CC(=C(C=C3)F)C(=O)O |
InChI: | InChI=1S/C16H11FN2O4/c17-12-6-5-9(7-11(12)15(21)22)8-19-13-4-2-1-3-10(13)14(20)18-16(19)23/h1-7H,8H2,(H,21,22)(H,18,20,23) |
InChI Key: | GAKQDOANOFNZED-UHFFFAOYSA-N |
LogP: | 1.57540 |
Publication Number | Title | Priority Date |
CN-111269216-A | Piperazinone-containing quinazoline dione compound, preparation method, pharmaceutical composition and application thereof | 20181205 |
WO-2020114455-A1 | Quinazoline dione salt compound containing piperazinone, preparation method therefor, pharmaceutical composition thereof and use thereof | 20181205 |
CN-113272295-A | Piperazinone-containing quinazoline dione compound, preparation method, pharmaceutical composition and application thereof | 20181205 |
CN-107098886-B | Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof | 20160226 |
WO-2017128036-A1 | Quinazolinone parp-1 inhibitor and preparation method, pharmaceutical composition and use thereof | 20160126 |
Complexity: | 512 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.070285 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.070285 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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