N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine

C153H196ClN21O25S6 — CID 167705672

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(CN)ccc12.CCc1sc(C(=O)Cl)cc1C.CCc1sc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)cc1C.CNC.CO.COCc1sc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)cc1C.COCc1sc(C(=O)NCc2ccc3c(N)nccc3c2)cc1C.Cc1cc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)sc1CN(C)C.Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)sc1CN(C)C
InChIInChI=1S/C29H38N4O5S.C28H35N3O6S.C28H35N3O5S.C20H27N3O4.C19H22N4OS.C18H19N3O2S.C8H9ClOS.C2H7N.CH4O/c1-18-14-22(39-23(18)17-32(8)9)25(34)31-16-19-10-11-21-20(15-19)12-13-30-24(21)33(26(35)37-28(2,3)4)27(36)38-29(5,6)7;1-17-13-21(38-22(17)16-35-8)24(32)30-15-18-9-10-20-19(14-18)11-12-29-23(20)31(25(33)36-27(2,3)4)26(34)37-28(5,6)7;1-9-21-17(2)14-22(37-21)24(32)30-16-18-10-11-20-19(15-18)12-13-29-23(20)31(25(33)35-27(3,4)5)26(34)36-28(6,7)8;1-19(2,3)26-17(24)23(18(25)27-20(4,5)6)16-15-8-7-13(12-21)11-14(15)9-10-22-16;1-12-8-16(25-17(12)11-23(2)3)19(24)22-10-13-4-5-15-14(9-13)6-7-21-18(15)20;1-11-7-15(24-16(11)10-23-2)18(22)21-9-12-3-4-14-13(8-12)5-6-20-17(14)19;1-3-6-5(2)4-7(11-6)8(9)10;1-3-2;1-2/h10-15H,16-17H2,1-9H3,(H,31,34);9-14H,15-16H2,1-8H3,(H,30,32);10-15H,9,16H2,1-8H3,(H,30,32);7-11H,12,21H2,1-6H3;4-9H,10-11H2,1-3H3,(H2,20,21)(H,22,24);3-8H,9-10H2,1-2H3,(H2,19,20)(H,21,22);4H,3H2,1-2H3;3H,1-2H3;2H,1H3
InChIKeyZBHFAWCTKYNVHR-UHFFFAOYSA-N
MW2957.23 g/mol
LogP32.66
Rot. Bonds31

About N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine

N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine (PubChem CID 167705672) has the molecular formula C153H196ClN21O25S6 and a molecular weight of 2957.23 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine
PubChem CID167705672
Molecular FormulaC153H196ClN21O25S6
Molecular Weight2957.23 g/mol
Exact Mass2954.27
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(CN)ccc12.CCc1sc(C(=O)Cl)cc1C.CCc1sc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)cc1C.CNC.CO.COCc1sc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)cc1C.COCc1sc(C(=O)NCc2ccc3c(N)nccc3c2)cc1C.Cc1cc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)sc1CN(C)C.Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)sc1CN(C)C
InChIInChI=1S/C29H38N4O5S.C28H35N3O6S.C28H35N3O5S.C20H27N3O4.C19H22N4OS.C18H19N3O2S.C8H9ClOS.C2H7N.CH4O/c1-18-14-22(39-23(18)17-32(8)9)25(34)31-16-19-10-11-21-20(15-19)12-13-30-24(21)33(26(35)37-28(2,3)4)27(36)38-29(5,6)7;1-17-13-21(38-22(17)16-35-8)24(32)30-15-18-9-10-20-19(14-18)11-12-29-23(20)31(25(33)36-27(2,3)4)26(34)37-28(5,6)7;1-9-21-17(2)14-22(37-21)24(32)30-16-18-10-11-20-19(15-18)12-13-29-23(20)31(25(33)35-27(3,4)5)26(34)36-28(6,7)8;1-19(2,3)26-17(24)23(18(25)27-20(4,5)6)16-15-8-7-13(12-21)11-14(15)9-10-22-16;1-12-8-16(25-17(12)11-23(2)3)19(24)22-10-13-4-5-15-14(9-13)6-7-21-18(15)20;1-11-7-15(24-16(11)10-23-2)18(22)21-9-12-3-4-14-13(8-12)5-6-20-17(14)19;1-3-6-5(2)4-7(11-6)8(9)10;1-3-2;1-2/h10-15H,16-17H2,1-9H3,(H,31,34);9-14H,15-16H2,1-8H3,(H,30,32);10-15H,9,16H2,1-8H3,(H,30,32);7-11H,12,21H2,1-6H3;4-9H,10-11H2,1-3H3,(H2,20,21)(H,22,24);3-8H,9-10H2,1-2H3,(H2,19,20)(H,21,22);4H,3H2,1-2H3;3H,1-2H3;2H,1H3
InChIKeyZBHFAWCTKYNVHR-UHFFFAOYSA-N
XLogP32.66
TPSA598.53 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002957.23
LogP ≤ 532.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine (CID 167705672) is N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(CN)ccc12.CCc1sc(C(=O)Cl)cc1C.CCc1sc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)cc1C.CNC.CO.COCc1sc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)cc1C.COCc1sc(C(=O)NCc2ccc3c(N)nccc3c2)cc1C.Cc1cc(C(=O)NCc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)sc1CN(C)C.Cc1cc(C(=O)NCc2ccc3c(N)nccc3c2)sc1CN(C)C.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine?
The InChIKey is ZBHFAWCTKYNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O5S.C28H35N3O6S.C28H35N3O5S.C20H27N3O4.C19H22N4OS.C18H19N3O2S.C8H9ClOS.C2H7N.CH4O/c1-18-14-22(39-23(18)17-32(8)9)25(34)31-16-19-10-11-21-20(15-19)12-13-30-24(21)33(26(35)37-28(2,3)4)27(36)38-29(5,6)7;1-17-13-21(38-22(17)16-35-8)24(32)30-15-18-9-10-20-19(14-18)11-12-29-23(20)31(25(33)36-27(2,3)4)26(34)37-28(5,6)7;1-9-21-17(2)14-22(37-21)24(32)30-16-18-10-11-20-19(15-18)12-13-29-23(20)31(25(33)35-27(3,4)5)26(34)36-28(6,7)8;1-19(2,3)26-17(24)23(18(25)27-20(4,5)6)16-15-8-7-13(12-21)11-14(15)9-10-22-16;1-12-8-16(25-17(12)11-23(2)3)19(24)22-10-13-4-5-15-14(9-13)6-7-21-18(15)20;1-11-7-15(24-16(11)10-23-2)18(22)21-9-12-3-4-14-13(8-12)5-6-20-17(14)19;1-3-6-5(2)4-7(11-6)8(9)10;1-3-2;1-2/h10-15H,16-17H2,1-9H3,(H,31,34);9-14H,15-16H2,1-8H3,(H,30,32);10-15H,9,16H2,1-8H3,(H,30,32);7-11H,12,21H2,1-6H3;4-9H,10-11H2,1-3H3,(H2,20,21)(H,22,24);3-8H,9-10H2,1-2H3,(H2,19,20)(H,21,22);4H,3H2,1-2H3;3H,1-2H3;2H,1H3.
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine?
N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine has a molecular weight of 2957.23 g/mol, XLogP of 32.66, 31 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxamide;N-[(1-aminoisoquinolin-6-yl)methyl]-5-(methoxymethyl)-4-methylthiophene-2-carboxamide;tert-butyl N-[6-(aminomethyl)isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-[(dimethylamino)methyl]-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[6-[[[5-(methoxymethyl)-4-methylthiophene-2-carbonyl]amino]methyl]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;5-ethyl-4-methylthiophene-2-carbonyl chloride;methanol;N-methylmethanamine is sourced from PubChem (CID 167705672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).