tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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

C214H249Cl2F9N20O5 — CID 159611268

IUPACtert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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)c1nc(-n2ccnc2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1OC.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1
InChIInChI=1S/C18H25N3O3.C15H13F6N.C15H16N4.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-18(2,3)16-12-10-14(22-4)15(23-5)11-13(12)19-17(20-16)21-6-8-24-9-7-21;1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-15(2,3)13-11-6-4-5-7-12(11)17-14(18-13)19-9-8-16-10-19;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/h10-11H,6-9H2,1-5H3;4-7H,1-3H3;4-10H,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
InChIKeyMMSJURFELRDEPY-UHFFFAOYSA-N
MW3423.37 g/mol
LogP58.21
Rot. Bonds6

About tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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 159611268) has the molecular formula C214H249Cl2F9N20O5 and a molecular weight of 3423.37 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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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 CID159611268
Molecular FormulaC214H249Cl2F9N20O5
Molecular Weight3423.37 g/mol
Exact Mass3419.91
IUPAC Nametert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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)c1nc(-n2ccnc2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1OC.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1
InChIInChI=1S/C18H25N3O3.C15H13F6N.C15H16N4.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-18(2,3)16-12-10-14(22-4)15(23-5)11-13(12)19-17(20-16)21-6-8-24-9-7-21;1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-15(2,3)13-11-6-4-5-7-12(11)17-14(18-13)19-9-8-16-10-19;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/h10-11H,6-9H2,1-5H3;4-7H,1-3H3;4-10H,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
InChIKeyMMSJURFELRDEPY-UHFFFAOYSA-N
XLogP58.21
TPSA299.47 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds6
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003423.37
LogP ≤ 558.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-(oxan-3-yloxy)quinazolin-5-yl]-N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68907687
N-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl]-1,10-dimethyl-1,10-phenanthroline-1,10-diium-5-amine
CID 123690670
N-[4-fluoro-3-[4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-8-yl]phenyl]-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine
CID 123924591
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
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
1-[3-[2-(6-amino-3-chloro-1,7-naphthyridin-4-yl)ethynyl]phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;6,7-dimethoxy-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]quinazolin-4-amine;(3R)-1-(6,7-dimethoxy-2-methylquinazolin-4-yl)-N,N-dimethylpyrrolidin-3-amine;4-[2-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]ethynyl]-6,7-dimethoxy-2-methylquinazoline
CID 158025569
2-(5-chloro-2-fluorophenyl)-4-imidazo[4,5-c]pyridin-1-ylquinoline;2-(5-chloro-2-fluorophenyl)-4-[2-(methoxymethyl)imidazo[4,5-c]pyridin-1-yl]quinoline;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
CID 158107395
7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine
CID 158225923
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
4-Chloro-6,7-dimethoxyquinazoline;bis(2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-ol);6,7-dimethoxy-4-[4-[5-[[4-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazin-1-yl]quinazoline;bis(2-piperidin-1-ylpyrimidin-5-ol);2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 158265544
7-Chloro-4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2,8-bis(trifluoromethyl)quinoline;4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethoxyquinazolin-2-yl]morpholine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-imidazol-1-ylquinazoline;5-(1,5-ditert-butylpyrrolidin-3-yl)oxyisoquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-amine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-(trifluoromethyl)quinoline
CID 158932148
3-[2-(2-amino-6,7-dimethoxyquinazolin-4-yl)ethynyl]-N-[3,5-dichloro-4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide;3-[2-(2-amino-6,7-dimethoxyquinazolin-4-yl)ethynyl]-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-4-methylbenzamide;3-[2-(3-amino-6-fluoroisoquinolin-4-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(2-amino-9-methylpurin-6-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 159135257

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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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 159611268) is tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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)c1nc(-n2ccnc2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1cc2nc(N3CCOCC3)nc(C(C)(C)C)c2cc1OC.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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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 MMSJURFELRDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.C15H13F6N.C15H16N4.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-18(2,3)16-12-10-14(22-4)15(23-5)11-13(12)19-17(20-16)21-6-8-24-9-7-21;1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-15(2,3)13-11-6-4-5-7-12(11)17-14(18-13)19-9-8-16-10-19;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/h10-11H,6-9H2,1-5H3;4-7H,1-3H3;4-10H,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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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 3423.37 g/mol, XLogP of 58.21, 6 rotatable bonds, 1 hydrogen bond donors, and 25 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;4-(4-tert-butyl-6,7-dimethoxyquinazolin-2-yl)morpholine;4-tert-butyl-2-imidazol-1-ylquinazoline;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 159611268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).