CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)Cl)C)C3CC3
CAS: 169749-89-7
名称: ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
SMILES: CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)Cl)C)C3CC3

Molecular Processing

Molecular formula
C16H15ClFNO3
Molecular weight
323.75
Exact mass
323.0724
XLogP
3.45
TPSA
47.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
81.3

Supplementary Information

InChIKey: CZWOEPIYDWRSSK-UHFFFAOYSA-N
同義語
169749-89-7Ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylateethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl esterSCHEMBL1290285CZWOEPIYDWRSSK-UHFFFAOYSA-Nethyl8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylateAC-31187DB-334309F8193558-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine3-carboxylic acid ethyl ester4H-Quinolizine-3-carboxylic acid,8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-, ethyl ester8-chloro-1- cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl ester
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