4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile

C17H12F3N3O2 — CID 99837253

IUPAC4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)ccn1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)25-14-3-4-15-11(9-14)2-1-7-23(15)16(24)12-5-6-22-13(8-12)10-21/h3-6,8-9H,1-2,7H2
InChIKeyRCGAUQJZLSSZNV-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.44
Rot. Bonds2

About 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile

4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile (PubChem CID 99837253) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile
PubChem CID99837253
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)ccn1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)25-14-3-4-15-11(9-14)2-1-7-23(15)16(24)12-5-6-22-13(8-12)10-21/h3-6,8-9H,1-2,7H2
InChIKeyRCGAUQJZLSSZNV-UHFFFAOYSA-N
XLogP3.44
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 60530285
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51129035
N-methyl-N-propan-2-yl-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 55671604
[4-(pyridin-3-ylmethylsulfanyl)phenyl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55972855
2-[2-methoxy-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 55777968
(2-chloro-5-nitrophenyl)-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55671446
(5-methyl-1-phenylpyrazol-3-yl)-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55760844
2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide
CID 112523521
ethyl 3-nitro-5-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]benzoate
CID 55671779
2-[4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile
CID 55671661
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492

Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile (CID 99837253) is 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile is N#Cc1cc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)ccn1.
What is the InChIKey of 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile?
The InChIKey is RCGAUQJZLSSZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)25-14-3-4-15-11(9-14)2-1-7-23(15)16(24)12-5-6-22-13(8-12)10-21/h3-6,8-9H,1-2,7H2.
What are the key properties of 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile?
4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile has a molecular weight of 347.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 99837253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).