2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

C129H170N30O3S — CID 158997668

IUPAC2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2cc[nH]c2)c2[nH]cnc2n1.CC(C)(C)c1nc(NC(=O)N2CCCC2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1C(=O)N1CCNCC1.CC(C)(C)c1nc2ccccc2nc1SCc1ccccc1.CC(C)(C)c1ncc(CCNC2CCNC2)c2ncccc12.CC(C)(C)c1nccc2ccc(CC(=O)N3CCNCC3)cc12.CC(C)(C)c1ncnc2c1CCCN2.CC(C)(C)c1ncnc2c1ncn2CC1CCCNC1
InChIInChI=1S/C19H25N3O.C19H20N2S.C18H26N4.2C17H22N4O.C15H23N5.C13H15N5.C11H17N3/c1-19(2,3)18-16-12-14(4-5-15(16)6-7-21-18)13-17(23)22-10-8-20-9-11-22;1-19(2,3)17-18(22-13-14-9-5-4-6-10-14)21-16-12-8-7-11-15(16)20-17;1-18(2,3)17-15-5-4-8-21-16(15)13(11-22-17)6-10-20-14-7-9-19-12-14;1-17(2,3)14-12-8-4-5-9-13(12)18-15(19-14)20-16(22)21-10-6-7-11-21;1-17(2,3)15-14(16(22)21-10-8-18-9-11-21)19-12-6-4-5-7-13(12)20-15;1-15(2,3)13-12-14(18-9-17-13)20(10-19-12)8-11-5-4-6-16-7-11;1-13(2,3)12-17-9(8-4-5-14-6-8)10-11(18-12)16-7-15-10;1-11(2,3)9-8-5-4-6-12-10(8)14-7-13-9/h4-7,12,20H,8-11,13H2,1-3H3;4-12H,13H2,1-3H3;4-5,8,11,14,19-20H,6-7,9-10,12H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,19,20,22);4-7,18H,8-11H2,1-3H3;9-11,16H,4-8H2,1-3H3;4-7,14H,1-3H3,(H,15,16,17,18);7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyJQYCTBSJMNFERL-UHFFFAOYSA-N
MW2221.05 g/mol
LogP22.58
Rot. Bonds14

About 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (PubChem CID 158997668) has the molecular formula C129H170N30O3S and a molecular weight of 2221.05 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
PubChem CID158997668
Molecular FormulaC129H170N30O3S
Molecular Weight2221.05 g/mol
Exact Mass2219.38
IUPAC Name2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2cc[nH]c2)c2[nH]cnc2n1.CC(C)(C)c1nc(NC(=O)N2CCCC2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1C(=O)N1CCNCC1.CC(C)(C)c1nc2ccccc2nc1SCc1ccccc1.CC(C)(C)c1ncc(CCNC2CCNC2)c2ncccc12.CC(C)(C)c1nccc2ccc(CC(=O)N3CCNCC3)cc12.CC(C)(C)c1ncnc2c1CCCN2.CC(C)(C)c1ncnc2c1ncn2CC1CCCNC1
InChIInChI=1S/C19H25N3O.C19H20N2S.C18H26N4.2C17H22N4O.C15H23N5.C13H15N5.C11H17N3/c1-19(2,3)18-16-12-14(4-5-15(16)6-7-21-18)13-17(23)22-10-8-20-9-11-22;1-19(2,3)17-18(22-13-14-9-5-4-6-10-14)21-16-12-8-7-11-15(16)20-17;1-18(2,3)17-15-5-4-8-21-16(15)13(11-22-17)6-10-20-14-7-9-19-12-14;1-17(2,3)14-12-8-4-5-9-13(12)18-15(19-14)20-16(22)21-10-6-7-11-21;1-17(2,3)15-14(16(22)21-10-8-18-9-11-21)19-12-6-4-5-7-13(12)20-15;1-15(2,3)13-12-14(18-9-17-13)20(10-19-12)8-11-5-4-6-16-7-11;1-13(2,3)12-17-9(8-4-5-14-6-8)10-11(18-12)16-7-15-10;1-11(2,3)9-8-5-4-6-12-10(8)14-7-13-9/h4-7,12,20H,8-11,13H2,1-3H3;4-12H,13H2,1-3H3;4-5,8,11,14,19-20H,6-7,9-10,12H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,19,20,22);4-7,18H,8-11H2,1-3H3;9-11,16H,4-8H2,1-3H3;4-7,14H,1-3H3,(H,15,16,17,18);7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyJQYCTBSJMNFERL-UHFFFAOYSA-N
XLogP22.58
TPSA400.78 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002221.05
LogP ≤ 522.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

PNAtar-penetratin
CID 16134044
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium
CID 58133353
1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-4-ylsulfanylmethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
CID 59008899
4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91131584
N-[2-[3-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-4-methyl-2-[(E)-1-(methylideneamino)prop-1-en-2-yl]-1,3-thiazole-5-carboxamide;4-(piperazin-1-ylmethyl)-N-[2-[2-(propylamino)-4-pyridinyl]-1H-benzimidazol-4-yl]benzamide
CID 144265248
bis(3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one);3-[(4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(4-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(1H-isoindol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 157137522
8-propan-2-yl-4a,8a-dihydro-1H-quinolin-2-one;4-propan-2-ylcinnoline;4-propan-2-yl-1,3-dihydroquinoxalin-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-ylimidazo[4,5-d]pyridazine;4-propan-2-ylisoquinoline;4-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-ylpurine;bis(9-propan-2-ylpurine);4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-ylquinoline;5-propan-2-ylquinoline;4-propan-2-yl-1H-quinolin-2-one;5-propan-2-yl-1H-quinolin-2-one
CID 157170587
4,20-Bis(3,5-diphenylphenyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis(2,6-dipyridin-2-yl-4-pyridinyl)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4,20-bis[3,5-di(pyrimidin-2-yl)phenyl]-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one;4-(3,5-diphenylphenyl)-26-thia-8,16,20-triazaoctacyclo[14.12.2.02,7.08,29.09,14.017,22.023,30.024,28]triaconta-1(29),2(7),3,5,9,11,13,17(22),18,20,23(30),24,27-tridecaen-15-one;4-(3,5-diphenylphenyl)-8,16,20-triazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
CID 157208374
4-propan-2-ylcinnoline;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-ylimidazo[4,5-d]pyridazine;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-isoindole;4-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-ylpurine;bis(9-propan-2-ylpurine);4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-quinolin-2-one
CID 157277182
2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;N-(4-tert-butyl-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 157355663
2-[1-(6-aminopurin-9-yl)ethyl]-5-methyl-3-phenylquinazolin-4-one;2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;2-[1-(1H-imidazo[4,5-c]pyridin-4-ylamino)ethyl]-3-phenylthieno[3,2-d]pyrimidin-4-one;5-methyl-3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 157369692

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The IUPAC name of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (CID 158997668) is 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is CC(C)(C)c1nc(-c2cc[nH]c2)c2[nH]cnc2n1.CC(C)(C)c1nc(NC(=O)N2CCCC2)nc2ccccc12.CC(C)(C)c1nc2ccccc2nc1C(=O)N1CCNCC1.CC(C)(C)c1nc2ccccc2nc1SCc1ccccc1.CC(C)(C)c1ncc(CCNC2CCNC2)c2ncccc12.CC(C)(C)c1nccc2ccc(CC(=O)N3CCNCC3)cc12.CC(C)(C)c1ncnc2c1CCCN2.CC(C)(C)c1ncnc2c1ncn2CC1CCCNC1.
What is the InChIKey of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The InChIKey is JQYCTBSJMNFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.C19H20N2S.C18H26N4.2C17H22N4O.C15H23N5.C13H15N5.C11H17N3/c1-19(2,3)18-16-12-14(4-5-15(16)6-7-21-18)13-17(23)22-10-8-20-9-11-22;1-19(2,3)17-18(22-13-14-9-5-4-6-10-14)21-16-12-8-7-11-15(16)20-17;1-18(2,3)17-15-5-4-8-21-16(15)13(11-22-17)6-10-20-14-7-9-19-12-14;1-17(2,3)14-12-8-4-5-9-13(12)18-15(19-14)20-16(22)21-10-6-7-11-21;1-17(2,3)15-14(16(22)21-10-8-18-9-11-21)19-12-6-4-5-7-13(12)20-15;1-15(2,3)13-12-14(18-9-17-13)20(10-19-12)8-11-5-4-6-16-7-11;1-13(2,3)12-17-9(8-4-5-14-6-8)10-11(18-12)16-7-15-10;1-11(2,3)9-8-5-4-6-12-10(8)14-7-13-9/h4-7,12,20H,8-11,13H2,1-3H3;4-12H,13H2,1-3H3;4-5,8,11,14,19-20H,6-7,9-10,12H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3,(H,18,19,20,22);4-7,18H,8-11H2,1-3H3;9-11,16H,4-8H2,1-3H3;4-7,14H,1-3H3,(H,15,16,17,18);7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine has a molecular weight of 2221.05 g/mol, XLogP of 22.58, 14 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3-tert-butylquinoxaline;2-(1-tert-butylisoquinolin-7-yl)-1-piperazin-1-ylethanone;N-[2-(5-tert-butyl-1,6-naphthyridin-8-yl)ethyl]pyrrolidin-3-amine;6-tert-butyl-9-(piperidin-3-ylmethyl)purine;2-tert-butyl-6-(1H-pyrrol-3-yl)-7H-purine;N-(4-tert-butylquinazolin-2-yl)pyrrolidine-1-carboxamide;(3-tert-butylquinoxalin-2-yl)-piperazin-1-ylmethanone;4-tert-butyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 158997668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).