Summary

IMPPAT Phytochemical identifier: IMPHY000676

Phytochemical name: 2-Undecyl-4(1H)-quinolinone

Synonymous chemical names:
2-n-undecyl-4-quinolone

External chemical identifiers:
CID:10063343, ChEMBL:CHEMBL2042447, ChEBI:166579, ZINC:ZINC000070455164, SureChEMBL:SCHEMBL16431614

---

Chemical structure information

SMILES:
CCCCCCCCCCCc1cc(=O)c2c([nH]1)cccc2

InChI:
InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22)

InChIKey:
KKSIGOUTTVXAKQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCccc=O)cc[nH]6)cccc6

Functional groups:
c=O, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]c2ccccc12

Scaffold Graph/Node level:
OC1CCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.146

---

Chemical structure download