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

C130H165F2N17O — CID 160803817

IUPAC8-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
SMILESCC(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)c1ccnc2ccccc12.CN1CCN(c2cc3cccc(C(C)(C)C)c3cn2)CC1.Cn1cc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C18H25N3.C18H21N3.C18H24N2.C17H20F2N2.C17H22N2O.C17H22N2.C13H15N.C12H16N2/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;1-13(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/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;4-9H,1-3H3;5-8H,1-4H3
InChIKeySDKQFLANAXUXEF-UHFFFAOYSA-N
MW2019.86 g/mol
LogP29.97
Rot. Bonds6

About 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

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 (PubChem CID 160803817) has the molecular formula C130H165F2N17O and a molecular weight of 2019.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID160803817
Molecular FormulaC130H165F2N17O
Molecular Weight2019.86 g/mol
Exact Mass2018.34
IUPAC Name8-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
SMILESCC(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)c1ccnc2ccccc12.CN1CCN(c2cc3cccc(C(C)(C)C)c3cn2)CC1.Cn1cc2c(C(C)(C)C)cccc2n1
InChIInChI=1S/C18H25N3.C18H21N3.C18H24N2.C17H20F2N2.C17H22N2O.C17H22N2.C13H15N.C12H16N2/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;1-13(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/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;4-9H,1-3H3;5-8H,1-4H3
InChIKeySDKQFLANAXUXEF-UHFFFAOYSA-N
XLogP29.97
TPSA163.75 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.86
LogP ≤ 529.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

2-[(2S)-4-[7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[(E)-4,4-difluorobut-2-enoyl]piperazin-1-yl]-7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]-8-methylnaphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]naphthalen-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperazin-2-yl]acetonitrile
CID 146478468
2-[(2S)-4-[2-[[(2S)-4-[4-[4-[(3S)-3-(cyanomethyl)-4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-5-methylnaphthalen-2-yl]-1-methylpyrrolidin-2-yl]methoxy]-7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[2-(trifluoromethyl)prop-2-enoyl]piperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]-8-methylnaphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-2-yl]acetonitrile
CID 146609763
2-[(2S)-4-[2-[[(2S)-4-[4-[4-[(3S)-3-(cyanomethyl)-4-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-5-methylnaphthalen-1-yl]-1-methylpyrrolidin-2-yl]methoxy]-7-[3-[(5S)-5-[[4-[(3S)-3-(cyanomethyl)-4-[2-(trifluoromethyl)prop-2-enoyl]piperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-1-methylpyrrolidin-3-yl]-8-methylnaphthalen-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-2-yl]acetonitrile
CID 146672037
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[3,5-dimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]-5-fluorobenzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-fluoro-5-[4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-fluoro-5-[4-[3,4,5-trimethyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-6-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157808822
1-[3-cyano-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(3,3-difluorocyclobutyl)-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157854620
2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-ditert-butylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-[2,6-bis(trifluoromethyl)phenyl]-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[3,5-diethyl-4-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[5-methyl-3-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(palladium(2+))
CID 158025879
CID 158405966
CID 158405966
3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;octakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 158460987
3-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(3-carbazol-9-ylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-(2-carbazol-9-ylpropan-2-yl)-3-(trifluoromethyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[3-(9-ethylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;hexakis(iridium);3-[3-(9-pyridin-2-ylcarbazol-3-yl)phenyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 158512971
2-[3-tert-butyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-(4-phenylpyrazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;methane;2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;tris(platinum(2+))
CID 158808201
3-[6-[2-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[3-(3,5-ditert-butyl-N-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]anilino)pyrazol-1-yl]benzene-4-ide-1-carbonitrile;2,6-difluoro-3-[6-[2-[1-(3H-naphthalen-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;5-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyrazol-1-yl]-6H-quinolin-6-ide;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-[3-(trifluoromethyl)benzene-6-id-1-yl]indazole;pentakis(platinum(2+))
CID 158893297
1-[3-cyclopropyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3,3-difluorocyclopentyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(2,2-difluorocyclopropyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 158953891

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)c1ccnc2ccccc12.CN1CCN(c2cc3cccc(C(C)(C)C)c3cn2)CC1.Cn1cc2c(C(C)(C)C)cccc2n1.
What is the InChIKey of 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?
The InChIKey is SDKQFLANAXUXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.C18H21N3.C18H24N2.C17H20F2N2.C17H22N2O.C17H22N2.C13H15N.C12H16N2/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;1-13(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/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;4-9H,1-3H3;5-8H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2019.86 g/mol, XLogP of 29.97, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160803817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).