3281-77-4
3-METHYL-4-(2-METHYL-4-OXO-3(4H)-QUINAZOLINYL)BENZOIC ACID 2-(DIETHYLA MINO)ETHYL ESTER HCL
Name3-METHYL-4-(2-METHYL-4-OXO-3(4H)-QUINAZOLINYL)BENZOIC ACID 2-(DIETHYLA MINO)ETHYL ESTER HCL
FormulaC23 H27 N3 O3 . Cl H
1Identification
【Name】
3-METHYL-4-(2-METHYL-4-OXO-3(4H)-QUINAZOLINYL)BENZOIC ACID 2-(DIETHYLA MINO)ETHYL ESTER HCL
【CAS】
【MDL】
MFCD01661757
【English Synonyms】
【Formula】
C23 H27 N3 O3 . Cl H
【MolWeight】
429.945
【Inchi】
InChI=1S/C23H27N3O3.ClH/c1-5-25(6-2)13-14-29-23(28)18-11-12-21(16(3)15-18)26-17(4)24-20-10-8-7-9-19(20)22(26)27;/h7-12,15H,5-6,13-14H2,1-4H3;1H
【InChIKey】
InChIKey=RXTSKKODWDYKED-UHFFFAOYSA-N
【SMILES】
CCN(CC)CCOC(=O)c1ccc(c(c1)C)n2c(nc3ccccc3c2=O)C.Cl
【MOL File】
3-METHYL-4-(2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-4-(2-METHYL-4-OXO-3(4H)-QUINAZOLINYL)BENZOIC ACID 2-(DIETHYLA MINO)ETHYL ESTER HCL.cml