4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline

C247H284BrClF7N15O6 — CID 167581968

IUPAC4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccc2cccc(O)c2c1.CC(C)(C)c1ccc2ncc(OCCF)cc2c1.CC(C)(C)c1ccc2nccc(Br)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2c1Cl.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccnc2c(F)cccc12.CC(C)(C)c1cnc2cccc(F)c2c1.COc1cc(C(C)(C)C)c2ccccc2n1.COc1cccc2c(C(C)(C)C)ccnc12.Cc1cc(C(C)(C)C)c2cccc(F)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2cc(C(C)(C)C)ccc2n1.Cc1ccc2ccc(C(C)(C)C)cc2c1.Cc1ccnc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C15H18FNO.C15H18.C14H14F3N.C14H16FN.2C14H17NO.3C14H17N.2C14H16O.C13H14BrN.C13H14ClN.2C13H14FN.C13H15NO.2C13H15N/c1-15(2,3)12-4-5-14-11(8-12)9-13(10-17-14)18-7-6-16;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11;1-13(2,3)10-7-9-5-4-6-18-12(9)11(8-10)14(15,16)17;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-14(2,3)11-8-9-15-13-10(11)6-5-7-12(13)16-4;1-14(2,3)11-9-13(16-4)15-12-8-6-5-7-10(11)12;1-10-7-8-15-13-6-5-11(9-12(10)13)14(2,3)4;1-10-5-6-11-9-12(14(2,3)4)7-8-13(11)15-10;1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)11-8-7-10-5-4-6-13(15)12(10)9-11;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)10-6-7-11-9(12(10)14)5-4-8-15-11;1-13(2,3)9-7-10-11(14)5-4-6-12(10)15-8-9;1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14(12)15;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-5,8-10H,6-7H2,1-3H3;5-10H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;2*5-9H,1-4H3;3*5-9H,1-4H3;2*4-9,15H,1-3H3;4*4-8H,1-3H3;4-9H,1-3H3;2*4-9H,1-3H3
InChIKeyHHFMQBMFLHPWFI-UHFFFAOYSA-N
MW3807.43 g/mol
LogP68.81
Rot. Bonds5

About 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline

4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline (PubChem CID 167581968) has the molecular formula C247H284BrClF7N15O6 and a molecular weight of 3807.43 g/mol. Its IUPAC name is 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline
PubChem CID167581968
Molecular FormulaC247H284BrClF7N15O6
Molecular Weight3807.43 g/mol
Exact Mass3803.11
IUPAC Name4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccc2cccc(O)c2c1.CC(C)(C)c1ccc2ncc(OCCF)cc2c1.CC(C)(C)c1ccc2nccc(Br)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2c1Cl.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccnc2c(F)cccc12.CC(C)(C)c1cnc2cccc(F)c2c1.COc1cc(C(C)(C)C)c2ccccc2n1.COc1cccc2c(C(C)(C)C)ccnc12.Cc1cc(C(C)(C)C)c2cccc(F)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2cc(C(C)(C)C)ccc2n1.Cc1ccc2ccc(C(C)(C)C)cc2c1.Cc1ccnc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C15H18FNO.C15H18.C14H14F3N.C14H16FN.2C14H17NO.3C14H17N.2C14H16O.C13H14BrN.C13H14ClN.2C13H14FN.C13H15NO.2C13H15N/c1-15(2,3)12-4-5-14-11(8-12)9-13(10-17-14)18-7-6-16;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11;1-13(2,3)10-7-9-5-4-6-18-12(9)11(8-10)14(15,16)17;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-14(2,3)11-8-9-15-13-10(11)6-5-7-12(13)16-4;1-14(2,3)11-9-13(16-4)15-12-8-6-5-7-10(11)12;1-10-7-8-15-13-6-5-11(9-12(10)13)14(2,3)4;1-10-5-6-11-9-12(14(2,3)4)7-8-13(11)15-10;1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)11-8-7-10-5-4-6-13(15)12(10)9-11;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)10-6-7-11-9(12(10)14)5-4-8-15-11;1-13(2,3)9-7-10-11(14)5-4-6-12(10)15-8-9;1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14(12)15;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-5,8-10H,6-7H2,1-3H3;5-10H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;2*5-9H,1-4H3;3*5-9H,1-4H3;2*4-9,15H,1-3H3;4*4-8H,1-3H3;4-9H,1-3H3;2*4-9H,1-3H3
InChIKeyHHFMQBMFLHPWFI-UHFFFAOYSA-N
XLogP68.81
TPSA275.55 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds5
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003807.43
LogP ≤ 568.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 158920326
2-[(E)-2-(2-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propan-2-yloxy-3-pyridinyl)ethenyl]quinolin-8-ol;5,7-dimethyl-2-[(E)-2-(2-propoxy-3-pyridinyl)ethenyl]quinolin-8-ol;2,4-dimethyl-7-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]naphthalen-1-ol;2-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 159701735
2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 160927319
1-Bromo-7-tert-butylnaphthalene;2-bromo-7-tert-butylnaphthalene;6-tert-butyl-2-chloroquinoline;6-tert-butyl-4-chloroquinoline;6-tert-butyl-4-(fluoromethoxymethyl)quinoline;6-tert-butyl-8-fluoroquinoline;7-tert-butyl-1-methylnaphthalene;5-tert-butyl-8-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-8-methylquinoline;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinolin-8-amine;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinolin-8-ol;(6-tert-butylquinolin-8-yl)-methyl-oxoazanium;6-tert-butyl-2-(trifluoromethyl)quinoline
CID 168406656
2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 157618916
1-Bromo-7-tert-butylnaphthalene;2-bromo-7-tert-butylnaphthalene;6-tert-butyl-4-chloro-8-methylquinoline;7-tert-butyl-1-chloronaphthalene;7-tert-butyl-1-(2-fluoroethoxy)naphthalene;2-tert-butyl-6-methylnaphthalene;7-tert-butyl-1-methylnaphthalene;bis(6-tert-butyl-2-methylquinoline);tris(6-tert-butyl-8-methylquinoline);bis(2-tert-butylnaphthalene);7-tert-butylnaphthalen-1-ol
CID 168395622

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline (CID 167581968) is 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline is CC(C)(C)c1cc(C(F)(F)F)c2ncccc2c1.CC(C)(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccc2cccc(O)c2c1.CC(C)(C)c1ccc2ncc(OCCF)cc2c1.CC(C)(C)c1ccc2nccc(Br)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2c1Cl.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccnc2c(F)cccc12.CC(C)(C)c1cnc2cccc(F)c2c1.COc1cc(C(C)(C)C)c2ccccc2n1.COc1cccc2c(C(C)(C)C)ccnc12.Cc1cc(C(C)(C)C)c2cccc(F)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2cc(C(C)(C)C)ccc2n1.Cc1ccc2ccc(C(C)(C)C)cc2c1.Cc1ccnc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline?
The InChIKey is HHFMQBMFLHPWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO.C15H18.C14H14F3N.C14H16FN.2C14H17NO.3C14H17N.2C14H16O.C13H14BrN.C13H14ClN.2C13H14FN.C13H15NO.2C13H15N/c1-15(2,3)12-4-5-14-11(8-12)9-13(10-17-14)18-7-6-16;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11;1-13(2,3)10-7-9-5-4-6-18-12(9)11(8-10)14(15,16)17;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-14(2,3)11-8-9-15-13-10(11)6-5-7-12(13)16-4;1-14(2,3)11-9-13(16-4)15-12-8-6-5-7-10(11)12;1-10-7-8-15-13-6-5-11(9-12(10)13)14(2,3)4;1-10-5-6-11-9-12(14(2,3)4)7-8-13(11)15-10;1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-14(2,3)11-8-7-10-5-4-6-13(15)12(10)9-11;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)10-6-7-11-9(12(10)14)5-4-8-15-11;1-13(2,3)9-7-10-11(14)5-4-6-12(10)15-8-9;1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14(12)15;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h4-5,8-10H,6-7H2,1-3H3;5-10H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;2*5-9H,1-4H3;3*5-9H,1-4H3;2*4-9,15H,1-3H3;4*4-8H,1-3H3;4-9H,1-3H3;2*4-9H,1-3H3.
What are the key properties of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline?
4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline has a molecular weight of 3807.43 g/mol, XLogP of 68.81, 5 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;6-tert-butyl-3-(2-fluoroethoxy)quinoline;4-tert-butyl-8-fluoro-2-methylquinoline;3-tert-butyl-5-fluoroquinoline;4-tert-butyl-8-fluoroquinoline;4-tert-butyl-2-methoxyquinoline;4-tert-butyl-8-methoxyquinoline;2-tert-butyl-7-methylnaphthalene;4-tert-butyl-2-methylquinoline;6-tert-butyl-2-methylquinoline;6-tert-butyl-4-methylquinoline;6-tert-butylnaphthalen-2-ol;7-tert-butylnaphthalen-1-ol;6-tert-butyl-1-oxidoquinolin-1-ium;6-tert-butylquinoline;8-tert-butylquinoline;6-tert-butyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 167581968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).