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IMPPAT Phytochemical information:
Furo[2,3-h]quinoline
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007259
Phytochemical name:
Furo[2,3-h]quinoline
Synonymous chemical names:
furoquinoline
External chemical identifiers:
CID:66842489
,
SureChEMBL:SCHEMBL917729
Chemical structure information
SMILES:
c1cnc2c(c1)ccc1c2cco1
InChI:
InChI=1S/C11H7NO/c1-2-8-3-4-10-9(5-7-13-10)11(8)12-6-1/h1-7H
InChIKey:
NBIQERZFHYWUCH-UHFFFAOYSA-N
DeepSMILES:
ccnccc6)cccc6cco5
Functional groups:
cnc, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1cnc2c(c1)ccc1occc12
Scaffold Graph/Node level:
C1CNC2C(C1)CCC1OCCC12
Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Quinolines and derivatives
NP-Likeness score:
-0.271
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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