4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)

C214H250BrClFN17O2 — CID 167689993

IUPAC4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)
SMILESCC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1ccc2nccc(Br)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2c1Cl.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ncccc12.CC(C)(C)c1cnc2ccccc2c1.COc1cc(C(C)(C)C)c2ccccc2n1.COc1cccc2c(C(C)(C)C)cc(C)nc12.Cc1cc(C(C)(C)C)c2cccc(F)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2c(C(C)(C)C)cccc2n1.Cc1cccc2c(C(C)(C)C)cccc12
InChIInChI=1S/C15H19NO.C15H18.C14H16FN.C14H17NO.2C14H17N.C13H14BrN.C13H14ClN.6C13H15N.2C12H14N2/c1-10-9-12(15(2,3)4)11-7-6-8-13(17-5)14(11)16-10;1-11-7-5-9-13-12(11)8-6-10-14(13)15(2,3)4;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-14(2,3)11-9-13(16-4)15-12-8-6-5-7-10(11)12;1-10-8-9-11-12(14(2,3)4)6-5-7-13(11)15-10;1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;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;2*1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;2*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;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-6-8-14-11-9(10)5-4-7-13-11;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11/h6-9H,1-5H3;5-10H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;2*5-9H,1-4H3;2*4-8H,1-3H3;6*4-9H,1-3H3;2*4-8H,1-3H3
InChIKeyWUBFXGJJHNJRTP-UHFFFAOYSA-N
MW3226.83 g/mol
LogP59.03
Rot. Bonds2

About 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)

4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline) (PubChem CID 167689993) has the molecular formula C214H250BrClFN17O2 and a molecular weight of 3226.83 g/mol. Its IUPAC name is 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline).

Molecular Properties

Compound Name4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)
PubChem CID167689993
Molecular FormulaC214H250BrClFN17O2
Molecular Weight3226.83 g/mol
Exact Mass3222.88
IUPAC Name4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)
SMILESCC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1ccc2nccc(Br)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2c1Cl.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ncccc12.CC(C)(C)c1cnc2ccccc2c1.COc1cc(C(C)(C)C)c2ccccc2n1.COc1cccc2c(C(C)(C)C)cc(C)nc12.Cc1cc(C(C)(C)C)c2cccc(F)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2c(C(C)(C)C)cccc2n1.Cc1cccc2c(C(C)(C)C)cccc12
InChIInChI=1S/C15H19NO.C15H18.C14H16FN.C14H17NO.2C14H17N.C13H14BrN.C13H14ClN.6C13H15N.2C12H14N2/c1-10-9-12(15(2,3)4)11-7-6-8-13(17-5)14(11)16-10;1-11-7-5-9-13-12(11)8-6-10-14(13)15(2,3)4;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-14(2,3)11-9-13(16-4)15-12-8-6-5-7-10(11)12;1-10-8-9-11-12(14(2,3)4)6-5-7-13(11)15-10;1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;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;2*1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;2*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;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-6-8-14-11-9(10)5-4-7-13-11;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11/h6-9H,1-5H3;5-10H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;2*5-9H,1-4H3;2*4-8H,1-3H3;6*4-9H,1-3H3;2*4-8H,1-3H3
InChIKeyWUBFXGJJHNJRTP-UHFFFAOYSA-N
XLogP59.03
TPSA237.59 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds2
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003226.83
LogP ≤ 559.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)?
The IUPAC name of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline) (CID 167689993) is 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline).
What is the SMILES notation for 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)?
The canonical SMILES for 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline) is CC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1ccc2nccc(Br)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2c1Cl.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ncccc12.CC(C)(C)c1cnc2ccccc2c1.COc1cc(C(C)(C)C)c2ccccc2n1.COc1cccc2c(C(C)(C)C)cc(C)nc12.Cc1cc(C(C)(C)C)c2cccc(F)c2n1.Cc1cc(C(C)(C)C)c2ccccc2n1.Cc1ccc2c(C(C)(C)C)cccc2n1.Cc1cccc2c(C(C)(C)C)cccc12.
What is the InChIKey of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)?
The InChIKey is WUBFXGJJHNJRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C15H18.C14H16FN.C14H17NO.2C14H17N.C13H14BrN.C13H14ClN.6C13H15N.2C12H14N2/c1-10-9-12(15(2,3)4)11-7-6-8-13(17-5)14(11)16-10;1-11-7-5-9-13-12(11)8-6-10-14(13)15(2,3)4;1-9-8-11(14(2,3)4)10-6-5-7-12(15)13(10)16-9;1-14(2,3)11-9-13(16-4)15-12-8-6-5-7-10(11)12;1-10-8-9-11-12(14(2,3)4)6-5-7-13(11)15-10;1-10-9-12(14(2,3)4)11-7-5-6-8-13(11)15-10;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;2*1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;2*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;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-6-8-14-11-9(10)5-4-7-13-11;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11/h6-9H,1-5H3;5-10H,1-4H3;5-8H,1-4H3;5-9H,1-4H3;2*5-9H,1-4H3;2*4-8H,1-3H3;6*4-9H,1-3H3;2*4-8H,1-3H3.
What are the key properties of 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline)?
4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline) has a molecular weight of 3226.83 g/mol, XLogP of 59.03, 2 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-tert-butylquinoline;6-tert-butyl-5-chloroquinoline;4-tert-butyl-8-fluoro-2-methylquinoline;4-tert-butyl-8-methoxy-2-methylquinoline;4-tert-butyl-2-methoxyquinoline;1-tert-butyl-5-methylnaphthalene;4-tert-butyl-2-methylquinoline;5-tert-butyl-2-methylquinoline;4-tert-butyl-1,8-naphthyridine;6-tert-butyl-1,7-naphthyridine;3-tert-butylquinoline;bis(5-tert-butylquinoline);6-tert-butylquinoline;bis(8-tert-butylquinoline) is sourced from PubChem (CID 167689993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).