ISDA: 7NLX

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 97W

IUPAC Name: 7-(trifluoromethyl)quinolin-4-ol

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2ncccc2c1

InChI: InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H

InChI Key: SMWDFEZZVXVKRB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C10 H6 F3 N O

Molecular weight: 213.156

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 15

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	7-(trifluoromethyl)quinolin-4-ol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
InChIKey	InChI	1.03	OWPLFJSQLPTCHS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccnc2cc(ccc12)C(F)(F)F
SMILES	CACTVS	3.385	Oc1ccnc2cc(ccc12)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc2c(ccnc2cc1C(F)(F)F)O
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(ccnc2cc1C(F)(F)F)O

Chemical Database Mapping