(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate

C19H24FNO3 — CID 162109514

IUPAC(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate
SMILESCCOCC(=O)Oc1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12
InChIInChI=1S/C19H24FNO3/c1-7-23-10-16(22)24-18-11(2)12(3)21-17-14(18)8-13(9-15(17)20)19(4,5)6/h8-9H,7,10H2,1-6H3
InChIKeyZFYQUFZXIRSQGY-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.23
Rot. Bonds4

About (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate

(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate (PubChem CID 162109514) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate.

Molecular Properties

Compound Name(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate
PubChem CID162109514
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate
SMILESCCOCC(=O)Oc1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12
InChIInChI=1S/C19H24FNO3/c1-7-23-10-16(22)24-18-11(2)12(3)21-17-14(18)8-13(9-15(17)20)19(4,5)6/h8-9H,7,10H2,1-6H3
InChIKeyZFYQUFZXIRSQGY-UHFFFAOYSA-N
XLogP4.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[8-fluoro-2,3-dimethyl-6-(2-methylbutan-2-yl)quinolin-4-yl] acetate
CID 141081221
benzyl (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) carbonate
CID 134691545
(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-(trichloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 166927265
(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 166927275
(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) acetate;methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 11629001
2-[(6-tert-butyl-8-fluoro-3-methylquinolin-4-yl)methoxy]propanoic acid
CID 66974781
ethyl 2-[[5,11,17,23-tetratert-butyl-26,27-bis(2-ethoxy-2-oxoethoxy)-28-hydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy]acetate
CID 11228463
1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
CID 115782966
(6-but-2-en-2-yl-2,3,8-trimethylquinolin-4-yl) acetate
CID 54002032
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
CID 75502045
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 2-[[5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(2-ethoxy-2-oxoethoxy)-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaenyl]oxy]acetate
CID 15330424

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate?
The IUPAC name of (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate (CID 162109514) is (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate.
What is the SMILES notation for (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate?
The canonical SMILES for (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate is CCOCC(=O)Oc1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12.
What is the InChIKey of (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate?
The InChIKey is ZFYQUFZXIRSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-7-23-10-16(22)24-18-11(2)12(3)21-17-14(18)8-13(9-15(17)20)19(4,5)6/h8-9H,7,10H2,1-6H3.
What are the key properties of (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate?
(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate has a molecular weight of 333.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) 2-ethoxyacetate is sourced from PubChem (CID 162109514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).