(7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone

C20H17F4NO2 — CID 58214332

IUPAC(7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone
SMILESCC1=CC(C)(C)Nc2cc(O)c(C(=O)c3c(C)c(F)c(F)c(F)c3F)cc21
InChIInChI=1S/C20H17F4NO2/c1-8-7-20(3,4)25-12-6-13(26)11(5-10(8)12)19(27)14-9(2)15(21)17(23)18(24)16(14)22/h5-7,25-26H,1-4H3
InChIKeyYDYSPQANBXPBMU-UHFFFAOYSA-N
MW379.35 g/mol
LogP5.10
Rot. Bonds2

About (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone

(7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone (PubChem CID 58214332) has the molecular formula C20H17F4NO2 and a molecular weight of 379.35 g/mol. Its IUPAC name is (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone.

Molecular Properties

Compound Name(7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone
PubChem CID58214332
Molecular FormulaC20H17F4NO2
Molecular Weight379.35 g/mol
Exact Mass379.12
IUPAC Name(7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone
SMILESCC1=CC(C)(C)Nc2cc(O)c(C(=O)c3c(C)c(F)c(F)c(F)c3F)cc21
InChIInChI=1S/C20H17F4NO2/c1-8-7-20(3,4)25-12-6-13(26)11(5-10(8)12)19(27)14-9(2)15(21)17(23)18(24)16(14)22/h5-7,25-26H,1-4H3
InChIKeyYDYSPQANBXPBMU-UHFFFAOYSA-N
XLogP5.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.35
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

7-[(dimethylamino)methyl]-2,2,4-trimethyl-1H-quinolin-6-ol
CID 2835209
2,2,4-trimethyl-1H-quinolin-7-ol
CID 23433587
6-bromo-2,2,4,7-tetramethyl-1H-quinoline
CID 53418602
6-(4-fluorophenyl)-2,2,4-trimethyl-1H-quinoline
CID 23433471
2,2,4-trimethyl-6-(2,3,4-trifluorophenyl)-1H-quinoline
CID 23433581
2,2,4,5,6,7,8,9-octamethyl-1H-indeno[1,2-g]quinolin-10-one
CID 54471373
7-methoxy-2,2,4-trimethyl-1H-quinoline
CID 643478
2,2,4-trimethyl-1H-quinoline;hydrochloride
CID 6602975
2,2,4-trimethyl-6-[3-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]-2,2-bis[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethyl]propoxy]-1H-quinoline
CID 70527981
6-ethoxy-2,2,4-trimethyl-1H-quinoline;oxoiron
CID 67924358
2,2,4,6-tetramethyl-1H-quinoline-8-carbohydrazide
CID 91670642
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-phenoxyacetate
CID 698304

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone?
The IUPAC name of (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone (CID 58214332) is (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone.
What is the SMILES notation for (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone?
The canonical SMILES for (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone is CC1=CC(C)(C)Nc2cc(O)c(C(=O)c3c(C)c(F)c(F)c(F)c3F)cc21.
What is the InChIKey of (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone?
The InChIKey is YDYSPQANBXPBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4NO2/c1-8-7-20(3,4)25-12-6-13(26)11(5-10(8)12)19(27)14-9(2)15(21)17(23)18(24)16(14)22/h5-7,25-26H,1-4H3.
What are the key properties of (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone?
(7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone has a molecular weight of 379.35 g/mol, XLogP of 5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2,2,4-trimethyl-1H-quinolin-6-yl)-(2,3,4,5-tetrafluoro-6-methylphenyl)methanone is sourced from PubChem (CID 58214332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).