C1CN(CCN1C#N)C2=C3C=CC(=CC3=NC=C2)Cl
Name: 4-(7-chloroquinolin-4-yl)piperazine-1-carbonitrile
SMILES: C1CN(CCN1C#N)C2=C3C=CC(=CC3=NC=C2)Cl

Molecular Processing

Molecular formula
C14H13ClN4
Molecular weight
272.74
Exact mass
272.0829
XLogP
2.49
TPSA
43.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
76.15

Supplementary Information

InChIKey: URQPSMYVFOXXST-UHFFFAOYSA-N
Synonyms
SCHEMBL5639771URQPSMYVFOXXST-UHFFFAOYSA-N7-Chloro-4-(4-cyanopiperazin-1-yl)quinoline
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Involved in 6 reactions→

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