8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole

C159H214BrF3N12O3 — CID 162038487

IUPAC8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)C(C)c1ccccc1.CC(C)C(C)c1cccnc1.CC(C)C(C1CCCCC1)C(F)(F)F.CC(C)CC1(C)CCOCC1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1ccnc2c(Br)cccc12.CC(C)c1ccnc2ccccc12.CC(C)c1ncnc2ccccc12.Cc1nn(C)c(C)c1CC(C)C
InChIInChI=1S/3C13H15N.C12H12BrN.C12H13N.C12H16O2.C11H19F3.C11H14N2.C11H12N2.C11H16.C10H18N2.C10H15N.C10H20O.C10H14/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-8(2)10(11(12,13)14)9-6-4-3-5-7-9;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)6-10-8(3)11-12(5)9(10)4;1-8(2)9(3)10-5-4-6-11-7-10;1-9(2)8-10(3)4-6-11-7-5-10;1-9(2)8-10-6-4-3-5-7-10/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;8-10H,3-7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;4-10H,1-3H3;7H,6H2,1-5H3;4-9H,1-3H3;9H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3
InChIKeyYWYPAOUSWBCZGR-UHFFFAOYSA-N
MW2478.44 g/mol
LogP44.61
Rot. Bonds25

About 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole

8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole (PubChem CID 162038487) has the molecular formula C159H214BrF3N12O3 and a molecular weight of 2478.44 g/mol. Its IUPAC name is 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
PubChem CID162038487
Molecular FormulaC159H214BrF3N12O3
Molecular Weight2478.44 g/mol
Exact Mass2475.61
IUPAC Name8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole
SMILESCC(C)C(C)c1ccccc1.CC(C)C(C)c1cccnc1.CC(C)C(C1CCCCC1)C(F)(F)F.CC(C)CC1(C)CCOCC1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1ccnc2c(Br)cccc12.CC(C)c1ccnc2ccccc12.CC(C)c1ncnc2ccccc12.Cc1nn(C)c(C)c1CC(C)C
InChIInChI=1S/3C13H15N.C12H12BrN.C12H13N.C12H16O2.C11H19F3.C11H14N2.C11H12N2.C11H16.C10H18N2.C10H15N.C10H20O.C10H14/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-8(2)10(11(12,13)14)9-6-4-3-5-7-9;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)6-10-8(3)11-12(5)9(10)4;1-8(2)9(3)10-5-4-6-11-7-10;1-9(2)8-10(3)4-6-11-7-5-10;1-9(2)8-10-6-4-3-5-7-10/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;8-10H,3-7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;4-10H,1-3H3;7H,6H2,1-5H3;4-9H,1-3H3;9H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3
InChIKeyYWYPAOUSWBCZGR-UHFFFAOYSA-N
XLogP44.61
TPSA177.31 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.44
LogP ≤ 544.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole with MolForge

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Related Compounds

8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline
CID 158545323
8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
CID 161739047

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The IUPAC name of 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole (CID 162038487) is 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole.
What is the SMILES notation for 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The canonical SMILES for 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole is CC(C)C(C)c1ccccc1.CC(C)C(C)c1cccnc1.CC(C)C(C1CCCCC1)C(F)(F)F.CC(C)CC1(C)CCOCC1.CC(C)Cc1c[nH]c2ncccc12.CC(C)Cc1ccc2c(c1)OCCO2.CC(C)Cc1ccc2ncccc2c1.CC(C)Cc1cccc2cccnc12.CC(C)Cc1ccccc1.CC(C)Cc1ccnc2ccccc12.CC(C)c1ccnc2c(Br)cccc12.CC(C)c1ccnc2ccccc12.CC(C)c1ncnc2ccccc12.Cc1nn(C)c(C)c1CC(C)C.
What is the InChIKey of 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
The InChIKey is YWYPAOUSWBCZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15N.C12H12BrN.C12H13N.C12H16O2.C11H19F3.C11H14N2.C11H12N2.C11H16.C10H18N2.C10H15N.C10H20O.C10H14/c1-10(2)9-12-6-3-5-11-7-4-8-14-13(11)12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13;1-8(2)9-6-7-14-12-10(9)4-3-5-11(12)13;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11;1-8(2)10(11(12,13)14)9-6-4-3-5-7-9;1-8(2)6-9-7-13-11-10(9)4-3-5-12-11;1-8(2)11-9-5-3-4-6-10(9)12-7-13-11;1-9(2)10(3)11-7-5-4-6-8-11;1-7(2)6-10-8(3)11-12(5)9(10)4;1-8(2)9(3)10-5-4-6-11-7-10;1-9(2)8-10(3)4-6-11-7-5-10;1-9(2)8-10-6-4-3-5-7-10/h3-8,10H,9H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-8,10H,9H2,1-2H3;3-8H,1-2H3;3-9H,1-2H3;3-4,8-9H,5-7H2,1-2H3;8-10H,3-7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H,12,13);3-8H,1-2H3;4-10H,1-3H3;7H,6H2,1-5H3;4-9H,1-3H3;9H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3.
What are the key properties of 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole?
8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole has a molecular weight of 2478.44 g/mol, XLogP of 44.61, 25 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-propan-2-ylquinoline;3-methylbutan-2-ylbenzene;3-(3-methylbutan-2-yl)pyridine;4-methyl-4-(2-methylpropyl)oxane;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;4-propan-2-ylquinazoline;4-propan-2-ylquinoline;(1,1,1-trifluoro-3-methylbutan-2-yl)cyclohexane;1,3,5-trimethyl-4-(2-methylpropyl)pyrazole is sourced from PubChem (CID 162038487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).