4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline

C203H241Cl2F7N14 — CID 158256052

IUPAC4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)c1cc(C2CC2)nc2ccccc12.Cc1cc(C(C)(C)C)c2cc(Cl)ccc2n1.Cc1cc(C(C)(C)C)c2cc(F)ccc2n1.Cc1cc(C(C)(C)C)c2cccc(C(F)(F)F)c2n1.Cc1cc(C(C)(C)C)c2cccc(C)c2n1.Cc1cc(C(C)(C)C)c2cccc(Cl)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2nc(C)cc(C(C)(C)C)c2c1.Cc1nc2ccccc2c(C(C)(C)C)c1C.Cc1nc2ccccc2c(C(C)(C)C)c1C
InChIInChI=1S/C16H19N.C15H16F3N.4C15H19N.2C14H16ClN.C14H14F3N.C14H16FN.4C14H17N/c1-16(2,3)13-10-15(11-8-9-11)17-14-7-5-4-6-12(13)14;1-9-8-12(14(2,3)4)10-6-5-7-11(13(10)19-9)15(16,17)18;1-10-6-7-14-12(8-10)13(15(3,4)5)9-11(2)16-14;1-10-7-6-8-12-13(15(3,4)5)9-11(2)16-14(10)12;2*1-10-11(2)16-13-9-7-6-8-12(13)14(10)15(3,4)5;1-9-7-12(14(2,3)4)11-8-10(15)5-6-13(11)16-9;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-13(2,3)10-8-12(14(15,16)17)18-11-7-5-4-6-9(10)11;1-9-7-12(14(2,3)4)11-8-10(15)5-6-13(11)16-9;4*1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10/h4-7,10-11H,8-9H2,1-3H3;5-8H,1-4H3;4*6-9H,1-5H3;2*5-8H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4*5-9H,1-4H3
InChIKeyGHHKKVWONKZETH-UHFFFAOYSA-N
MW3081.15 g/mol
LogP58.75
Rot. Bonds1

About 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline

4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline (PubChem CID 158256052) has the molecular formula C203H241Cl2F7N14 and a molecular weight of 3081.15 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline
PubChem CID158256052
Molecular FormulaC203H241Cl2F7N14
Molecular Weight3081.15 g/mol
Exact Mass3077.86
IUPAC Name4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)c1cc(C2CC2)nc2ccccc12.Cc1cc(C(C)(C)C)c2cc(Cl)ccc2n1.Cc1cc(C(C)(C)C)c2cc(F)ccc2n1.Cc1cc(C(C)(C)C)c2cccc(C(F)(F)F)c2n1.Cc1cc(C(C)(C)C)c2cccc(C)c2n1.Cc1cc(C(C)(C)C)c2cccc(Cl)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2nc(C)cc(C(C)(C)C)c2c1.Cc1nc2ccccc2c(C(C)(C)C)c1C.Cc1nc2ccccc2c(C(C)(C)C)c1C
InChIInChI=1S/C16H19N.C15H16F3N.4C15H19N.2C14H16ClN.C14H14F3N.C14H16FN.4C14H17N/c1-16(2,3)13-10-15(11-8-9-11)17-14-7-5-4-6-12(13)14;1-9-8-12(14(2,3)4)10-6-5-7-11(13(10)19-9)15(16,17)18;1-10-6-7-14-12(8-10)13(15(3,4)5)9-11(2)16-14;1-10-7-6-8-12-13(15(3,4)5)9-11(2)16-14(10)12;2*1-10-11(2)16-13-9-7-6-8-12(13)14(10)15(3,4)5;1-9-7-12(14(2,3)4)11-8-10(15)5-6-13(11)16-9;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-13(2,3)10-8-12(14(15,16)17)18-11-7-5-4-6-9(10)11;1-9-7-12(14(2,3)4)11-8-10(15)5-6-13(11)16-9;4*1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10/h4-7,10-11H,8-9H2,1-3H3;5-8H,1-4H3;4*6-9H,1-5H3;2*5-8H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4*5-9H,1-4H3
InChIKeyGHHKKVWONKZETH-UHFFFAOYSA-N
XLogP58.75
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003081.15
LogP ≤ 558.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline (CID 158256052) is 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline is CC(C)(C)c1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)c1cc(C2CC2)nc2ccccc12.Cc1cc(C(C)(C)C)c2cc(Cl)ccc2n1.Cc1cc(C(C)(C)C)c2cc(F)ccc2n1.Cc1cc(C(C)(C)C)c2cccc(C(F)(F)F)c2n1.Cc1cc(C(C)(C)C)c2cccc(C)c2n1.Cc1cc(C(C)(C)C)c2cccc(Cl)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2nc(C)cc(C(C)(C)C)c2c1.Cc1nc2ccccc2c(C(C)(C)C)c1C.Cc1nc2ccccc2c(C(C)(C)C)c1C.
What is the InChIKey of 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline?
The InChIKey is GHHKKVWONKZETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.C15H16F3N.4C15H19N.2C14H16ClN.C14H14F3N.C14H16FN.4C14H17N/c1-16(2,3)13-10-15(11-8-9-11)17-14-7-5-4-6-12(13)14;1-9-8-12(14(2,3)4)10-6-5-7-11(13(10)19-9)15(16,17)18;1-10-6-7-14-12(8-10)13(15(3,4)5)9-11(2)16-14;1-10-7-6-8-12-13(15(3,4)5)9-11(2)16-14(10)12;2*1-10-11(2)16-13-9-7-6-8-12(13)14(10)15(3,4)5;1-9-7-12(14(2,3)4)11-8-10(15)5-6-13(11)16-9;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-13(2,3)10-8-12(14(15,16)17)18-11-7-5-4-6-9(10)11;1-9-7-12(14(2,3)4)11-8-10(15)5-6-13(11)16-9;4*1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10/h4-7,10-11H,8-9H2,1-3H3;5-8H,1-4H3;4*6-9H,1-5H3;2*5-8H,1-4H3;4-8H,1-3H3;5-8H,1-4H3;4*5-9H,1-4H3.
What are the key properties of 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline?
4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline has a molecular weight of 3081.15 g/mol, XLogP of 58.75, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-methylquinoline;4-tert-butyl-8-chloro-2-methylquinoline;4-tert-butyl-2-cyclopropylquinoline;bis(4-tert-butyl-2,3-dimethylquinoline);4-tert-butyl-2,6-dimethylquinoline;4-tert-butyl-2,8-dimethylquinoline;4-tert-butyl-6-fluoro-2-methylquinoline;tetrakis(4-tert-butyl-2-methylquinoline);4-tert-butyl-2-methyl-8-(trifluoromethyl)quinoline;4-tert-butyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 158256052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).