CC(=O)N1C2=C(C=C(C=C2)C(=O)OC)C(CC1(C)C)(C)C3=CC=CC=C3
名称: methyl 1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinoline-6-carboxylate
SMILES: CC(=O)N1C2=C(C=C(C=C2)C(=O)OC)C(CC1(C)C)(C)C3=CC=CC=C3

Molecular Processing

Molecular formula
C22H25NO3
Molecular weight
351.45
Exact mass
351.1834
XLogP
4.31
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
102.53

Supplementary Information

InChIKey: QTWDMQAGAOCBLT-UHFFFAOYSA-N
同義語
SCHEMBL1323552QTWDMQAGAOCBLT-UHFFFAOYSA-N1-Acetyl-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline-6-carboxylic acid methyl ester
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