tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline

C181H208Cl2F9N13O2 — CID 158231344

IUPACtert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)(C)c1ccnc2cc(Cl)ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1
InChIInChI=1S/C15H13F6N.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-13(2,3)11-6-7-18-12-8-9(14(15,16)17)4-5-10(11)12;1-14(2,3)11-8-13(15)16-12-7-9(17-4)5-6-10(11)12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-8-9(14)4-5-10(11)12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8/h4-7H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H2,15,16);5-9H,1-4H3;2*4-10H,1-3H3;4-8H,1-3H3;4*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyGEKNXKWUVJWPTA-UHFFFAOYSA-N
MW2839.63 g/mol
LogP52.32
Rot. Bonds2

About tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline

tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline (PubChem CID 158231344) has the molecular formula C181H208Cl2F9N13O2 and a molecular weight of 2839.63 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
PubChem CID158231344
Molecular FormulaC181H208Cl2F9N13O2
Molecular Weight2839.63 g/mol
Exact Mass2836.58
IUPAC Nametert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)(C)c1ccnc2cc(Cl)ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1
InChIInChI=1S/C15H13F6N.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-13(2,3)11-6-7-18-12-8-9(14(15,16)17)4-5-10(11)12;1-14(2,3)11-8-13(15)16-12-7-9(17-4)5-6-10(11)12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-8-9(14)4-5-10(11)12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8/h4-7H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H2,15,16);5-9H,1-4H3;2*4-10H,1-3H3;4-8H,1-3H3;4*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyGEKNXKWUVJWPTA-UHFFFAOYSA-N
XLogP52.32
TPSA199.16 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002839.63
LogP ≤ 552.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline with MolForge

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Related Compounds

N-(3-chloro-4-fluorophenyl)-7-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274230
4-[2-(1-chloro-6-methylisoquinolin-5-yl)oxypyridin-3-yl]-N-methylpyrimidin-2-amine;6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine
CID 157059233
7-Chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 157068514
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-N-(7-methoxyquinolin-4-yl)quinolin-4-amine;2-(5-chloro-2-fluorophenyl)-N-[7-(trifluoromethyl)quinolin-4-yl]quinolin-4-amine;2-phenyl-N-pyridin-4-ylquinolin-4-amine
CID 157084413
7-Chloro-4-methoxyquinoline;4,7-dimethoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 157106217
N-(3-chloro-4-fluorophenyl)-6-methyl-5-[[3-(7H-pyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]methyl]isoquinolin-1-amine;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-6-methyl-5-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]isoquinolin-1-amine
CID 157150736
7-Chloro-4-methoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium;4,7-dimethoxyquinolin-1-ium-2-amine;methane;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium;4-methoxyquinolin-1-ium
CID 157308333
5-(benzo[g]quinolin-5-ylamino)-2-(diethylaminomethyl)phenol;N-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;bis(N',N'-dimethyl-N-[2-[[4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine);methyl (2S)-3-methyl-2-[[2-[[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]methyl]quinazolin-4-yl]amino]butanoate
CID 157361389
8-Chloro-2-cyclopropyl-4-methoxy-7-methylquinazoline;8-chloro-2-cyclopropyloxy-4-methoxy-7-methylquinazoline;8-chloro-2,4-dimethoxy-7-methylquinazoline;8-chloro-2-ethoxy-4-methoxy-7-methylquinazoline;8-chloro-4-methoxy-7-methyl-2-phenylquinazoline;8-chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(2,2,2-trifluoroethoxy)quinazoline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline
CID 157414298
7-Chloro-4-methoxyquinoline;methane;4-methoxy-7-methylquinolin-2-amine;4-methoxy-7-methylquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
CID 157455688
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
The IUPAC name of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline (CID 158231344) is tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline is CC(C)(C)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)(C)c1ccnc2cc(Cl)ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
The InChIKey is GEKNXKWUVJWPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-13(2,3)11-6-7-18-12-8-9(14(15,16)17)4-5-10(11)12;1-14(2,3)11-8-13(15)16-12-7-9(17-4)5-6-10(11)12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-8-9(14)4-5-10(11)12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8/h4-7H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H2,15,16);5-9H,1-4H3;2*4-10H,1-3H3;4-8H,1-3H3;4*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline has a molecular weight of 2839.63 g/mol, XLogP of 52.32, 2 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 158231344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).