| CAS Number | 327091-28-1 |
| Catalog Number | AG019KKZ(AGN-PC-0R84DL) |
| Chemical Name | 2-{[7-(methoxycarbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}benzoic acid |
| IUPAC Name | 2-[(7-methoxycarbonyl-4-oxo-3H-quinazolin-2-yl)methyl]benzoic acid |
| InChI | InChI=1S/C18H14N2O5/c1-25-18(24)11-6-7-13-14(8-11)19-15(20-16(13)21)9-10-4-2-3-5-12(10)17(22)23/h2-8H,9H2,1H3,(H,22,23)(H,19,20,21) |
| InChI Key | ORZHVONLWFVLRA-UHFFFAOYSA-N |
| MDL Number | MFCD02708127 |
| Molecular Formula | C18H14N2O5 |
| Molecular Weight | 338.3142 |
| SMILES | COC(=O)c1ccc2c(c1)nc([nH]c2=O)Cc1ccccc1C(=O)O |
| Synonyms | 2-{[7-(methoxycarbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}benzoic acid,
327091-28-1,
AC1MQIP8,
AC1Q43MJ,
CTK6J0375,
CTK8F3976,
ZINC5072586,
2-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]benzoic Acid,
AKOS034455376,
MCULE-1926370608,
NE50916,
EN300-27355,
Z56792246,
CID3502412,
|
| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.319g/mol |
| Monoisotopic Mass | 338.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number