Summary

IMPPAT Phytochemical identifier: IMPHY008176

Phytochemical name: Benzenamine, N,N-dimethyl-2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)-

Synonymous chemical names:
vasicoline

External chemical identifiers:
CID:626005

---

Chemical structure information

SMILES:
CN(c1ccccc1C1CCN2C1=Nc1ccccc1C2)C

InChI:
InChI=1S/C19H21N3/c1-21(2)18-10-6-4-8-15(18)16-11-12-22-13-14-7-3-5-9-17(14)20-19(16)22/h3-10,16H,11-13H2,1-2H3

InChIKey:
SAEPCOKFKLLTED-UHFFFAOYSA-N

DeepSMILES:
CNcccccc6CCCNC5=Ncccccc6C%10)))))))))))))))))))C

Functional groups:
cN(C)C, cN=C(C)N(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCN3Cc4ccccc4N=C23)cc1

Scaffold Graph/Node level:
C1CCC(C2CCN3CC4CCCCC4NC23)CC1

Scaffold Graph level:
C1CCC(C2CCC3CC4CCCCC4CC32)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: Phenylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: 0.154

---

Chemical structure download