3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline

C168H210F2N18OS — CID 165051058

IUPAC3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
SMILESCC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2cc(N3CCC(C#N)C3)ncc12.CC(C)(C)c1cccc2cc(N3CCC(F)(F)C3)ncc12.CC(C)(C)c1cccc2cc(N3CCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCOCC3)ncc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1csc2ccccc12.CN1CCN(c2cc3cccc(C(C)(C)C)c3cn2)CC1.Cn1cc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C18H25N3.C18H21N3.C18H24N2.C17H20F2N2.C17H22N2O.C17H22N2.C14H16.C13H15N.C12H16N2.C12H15N.C12H14S/c1-18(2,3)16-7-5-6-14-12-17(19-13-15(14)16)21-10-8-20(4)9-11-21;1-18(2,3)16-6-4-5-14-9-17(20-11-15(14)16)21-8-7-13(10-19)12-21;1-18(2,3)16-9-7-8-14-12-17(19-13-15(14)16)20-10-5-4-6-11-20;1-16(2,3)14-6-4-5-12-9-15(20-10-13(12)14)21-8-7-17(18,19)11-21;1-17(2,3)15-6-4-5-13-11-16(18-12-14(13)15)19-7-9-20-10-8-19;1-17(2,3)15-8-6-7-13-11-16(18-12-14(13)15)19-9-4-5-10-19;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h5-7,12-13H,8-11H2,1-4H3;4-6,9,11,13H,7-8,12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;4-6,9-10H,7-8,11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;6-8,11-12H,4-5,9-10H2,1-3H3;4-10H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3
InChIKeyPQXUMENBYJIGSJ-UHFFFAOYSA-N
MW2567.72 g/mol
LogP41.77
Rot. Bonds6

About 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline

3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline (PubChem CID 165051058) has the molecular formula C168H210F2N18OS and a molecular weight of 2567.72 g/mol. Its IUPAC name is 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline.

Molecular Properties

Compound Name3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
PubChem CID165051058
Molecular FormulaC168H210F2N18OS
Molecular Weight2567.72 g/mol
Exact Mass2565.66
IUPAC Name3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
SMILESCC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2cc(N3CCC(C#N)C3)ncc12.CC(C)(C)c1cccc2cc(N3CCC(F)(F)C3)ncc12.CC(C)(C)c1cccc2cc(N3CCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCOCC3)ncc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1csc2ccccc12.CN1CCN(c2cc3cccc(C(C)(C)C)c3cn2)CC1.Cn1cc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C18H25N3.C18H21N3.C18H24N2.C17H20F2N2.C17H22N2O.C17H22N2.C14H16.C13H15N.C12H16N2.C12H15N.C12H14S/c1-18(2,3)16-7-5-6-14-12-17(19-13-15(14)16)21-10-8-20(4)9-11-21;1-18(2,3)16-6-4-5-14-9-17(20-11-15(14)16)21-8-7-13(10-19)12-21;1-18(2,3)16-9-7-8-14-12-17(19-13-15(14)16)20-10-5-4-6-11-20;1-16(2,3)14-6-4-5-12-9-15(20-10-13(12)14)21-8-7-17(18,19)11-21;1-17(2,3)15-6-4-5-13-11-16(18-12-14(13)15)19-7-9-20-10-8-19;1-17(2,3)15-8-6-7-13-11-16(18-12-14(13)15)19-9-4-5-10-19;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h5-7,12-13H,8-11H2,1-4H3;4-6,9,11,13H,7-8,12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;4-6,9-10H,7-8,11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;6-8,11-12H,4-5,9-10H2,1-3H3;4-10H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3
InChIKeyPQXUMENBYJIGSJ-UHFFFAOYSA-N
XLogP41.77
TPSA179.54 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002567.72
LogP ≤ 541.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-propan-2-ylphthalazin-1-amine;N-[(1R)-1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-6,7-dimethyl-4-(trifluoromethyl)phthalazin-1-amine;N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-4-ethyl-6,7-dimethylphthalazin-1-amine;N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-4-methyl-7-(4-methylpiperazin-1-yl)phthalazin-1-amine;4-methyl-N-[(1R)-1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine;4,6,7-trimethyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]phthalazin-1-amine
CID 159207239
8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-(2,5-dihydropyrrol-1-yl)isoquinoline;8-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
CID 160033271
8-Tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
CID 160803817
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;4-tert-butyl-2-methylindazole;1-tert-butylnaphthalene;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;5-tert-butylquinazolin-2-amine;4-tert-butylquinoline;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 163984895
CID 165039752
CID 165039752
5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoro-1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-morpholin-4-ylisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;bis(1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone)
CID 157215622
N-(8-cyclopentyl-5-methylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-N-(2-methoxyethyl)-1-N-methyl-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine;1-(4-methylpiperazin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;N-(5-methyl-8-thiophen-3-ylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-pyrrolidin-1-yl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1,3,4-trimethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 157467882
bis(6-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-isoindole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157918841
1-benzothiophene;6,6-dimethyl-1-(5-phenylpyrazin-2-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-3-yl)indeno[2,1-g]indole;6,6-dimethyl-1-(6-phenylpyridazin-4-yl)indeno[2,1-g]indole;6,6-dimethyl-1-phthalazin-1-ylindeno[2,1-g]indole;1-(4-isoquinolin-4-ylphenyl)-6,6-dimethylindeno[2,1-g]indole;methane;7-phenyl-6-propan-2-yl-1H-indole
CID 158053948
3-tert-butyl-1-benzothiophene;5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-2H-isoquinolin-1-one;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
CID 158203193
bis(2,4-dimethyl-1H-indole);3,4-dimethylpyridazine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine;6-fluoro-5-methylquinazoline;methane;5-methylimidazo[1,2-c]pyrimidine;4-methyl-1H-indole;4-methylpyrimidine-5-carbonitrile;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 159911264

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline?
The IUPAC name of 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline (CID 165051058) is 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline.
What is the SMILES notation for 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline?
The canonical SMILES for 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline is CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2cc(N3CCC(C#N)C3)ncc12.CC(C)(C)c1cccc2cc(N3CCC(F)(F)C3)ncc12.CC(C)(C)c1cccc2cc(N3CCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCCCC3)ncc12.CC(C)(C)c1cccc2cc(N3CCOCC3)ncc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1csc2ccccc12.CN1CCN(c2cc3cccc(C(C)(C)C)c3cn2)CC1.Cn1cc2c(C(C)(C)C)cccc2n1.
What is the InChIKey of 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline?
The InChIKey is PQXUMENBYJIGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.C18H21N3.C18H24N2.C17H20F2N2.C17H22N2O.C17H22N2.C14H16.C13H15N.C12H16N2.C12H15N.C12H14S/c1-18(2,3)16-7-5-6-14-12-17(19-13-15(14)16)21-10-8-20(4)9-11-21;1-18(2,3)16-6-4-5-14-9-17(20-11-15(14)16)21-8-7-13(10-19)12-21;1-18(2,3)16-9-7-8-14-12-17(19-13-15(14)16)20-10-5-4-6-11-20;1-16(2,3)14-6-4-5-12-9-15(20-10-13(12)14)21-8-7-17(18,19)11-21;1-17(2,3)15-6-4-5-13-11-16(18-12-14(13)15)19-7-9-20-10-8-19;1-17(2,3)15-8-6-7-13-11-16(18-12-14(13)15)19-9-4-5-10-19;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-6-5-7-11-9(10)8-14(4)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11/h5-7,12-13H,8-11H2,1-4H3;4-6,9,11,13H,7-8,12H2,1-3H3;7-9,12-13H,4-6,10-11H2,1-3H3;4-6,9-10H,7-8,11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;6-8,11-12H,4-5,9-10H2,1-3H3;4-10H,1-3H3;4-9H,1-3H3;5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3.
What are the key properties of 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline?
3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline has a molecular weight of 2567.72 g/mol, XLogP of 41.77, 6 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-benzothiophene;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;6-tert-butyl-1H-indole;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;1-tert-butylnaphthalene;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline is sourced from PubChem (CID 165051058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).