1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one

C122H158N22O6S2 — CID 159096340

IUPAC1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
SMILESCC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CCN(CC)CCCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C
InChIInChI=1S/C22H31NO.C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C14H18N2/c1-6-23(7-2)14-8-9-21(24)19-11-10-18-16-20(22(3,4)5)13-12-17(18)15-19;1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13/h10-13,15-16H,6-9,14H2,1-5H3;5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3
InChIKeyKCSHGSOBSDXXHK-UHFFFAOYSA-N
MW2092.89 g/mol
LogP24.35
Rot. Bonds21

About 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one

1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one (PubChem CID 159096340) has the molecular formula C122H158N22O6S2 and a molecular weight of 2092.89 g/mol. Its IUPAC name is 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
PubChem CID159096340
Molecular FormulaC122H158N22O6S2
Molecular Weight2092.89 g/mol
Exact Mass2091.22
IUPAC Name1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one
SMILESCC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CCN(CC)CCCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C
InChIInChI=1S/C22H31NO.C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C14H18N2/c1-6-23(7-2)14-8-9-21(24)19-11-10-18-16-20(22(3,4)5)13-12-17(18)15-19;1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13/h10-13,15-16H,6-9,14H2,1-5H3;5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3
InChIKeyKCSHGSOBSDXXHK-UHFFFAOYSA-N
XLogP24.35
TPSA380.70 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002092.89
LogP ≤ 524.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The IUPAC name of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one (CID 159096340) is 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one.
What is the SMILES notation for 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The canonical SMILES for 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one is CC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CCN(CC)CCCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C.
What is the InChIKey of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
The InChIKey is KCSHGSOBSDXXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C14H18N2/c1-6-23(7-2)14-8-9-21(24)19-11-10-18-16-20(22(3,4)5)13-12-17(18)15-19;1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13/h10-13,15-16H,6-9,14H2,1-5H3;5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3.
What are the key properties of 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one?
1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one has a molecular weight of 2092.89 g/mol, XLogP of 24.35, 21 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one is sourced from PubChem (CID 159096340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).