CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CNC4=CC=CC=C4)C
名称: N-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methyl]aniline
SMILES: CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CNC4=CC=CC=C4)C

Molecular Processing

Molecular formula
C25H26N2O
Molecular weight
370.5
Exact mass
370.2045
XLogP
6.06
TPSA
33.29
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
119.04

Supplementary Information

InChIKey: VEDCUYREWZUGFQ-UHFFFAOYSA-N
同義語
SCHEMBL4706068VEDCUYREWZUGFQ-UHFFFAOYSA-N[6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinolin-4-ylmethyl]phenylamine
出典を見る →
28 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→