1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

C180H191Cl3FN41O14S5 — CID 159652060

IUPAC1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
SMILESCOc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ccccc1S(C)(=O)=O.NC(=O)c1ccc2c(N)nccc2c1
InChIInChI=1S/C11H13N3.C11H12N2O2S.C10H9ClN2.C10H9FN2.C10H9N3O.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O.C9H12O3S.C8H11NO3S.C8H10O2S.C6H6ClN.C5H5ClS/c1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;11-9-8-2-1-7(10(12)14)5-6(8)3-4-13-9;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h2-5H,6,12H2,1H3,(H2,13,14);2-6H,12H2,1H3,(H2,13,14,15);2*2-5H,1H3,(H2,12,13);1-5H,(H2,11,13)(H2,12,14);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-4H,1H3;2-3H,1H3
InChIKeyMRRRPCSJHBUVAQ-UHFFFAOYSA-N
MW3438.47 g/mol
LogP31.93
Rot. Bonds9

About 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (PubChem CID 159652060) has the molecular formula C180H191Cl3FN41O14S5 and a molecular weight of 3438.47 g/mol. Its IUPAC name is 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.

Molecular Properties

Compound Name1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
PubChem CID159652060
Molecular FormulaC180H191Cl3FN41O14S5
Molecular Weight3438.47 g/mol
Exact Mass3434.31
IUPAC Name1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
SMILESCOc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ccccc1S(C)(=O)=O.NC(=O)c1ccc2c(N)nccc2c1
InChIInChI=1S/C11H13N3.C11H12N2O2S.C10H9ClN2.C10H9FN2.C10H9N3O.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O.C9H12O3S.C8H11NO3S.C8H10O2S.C6H6ClN.C5H5ClS/c1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;11-9-8-2-1-7(10(12)14)5-6(8)3-4-13-9;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h2-5H,6,12H2,1H3,(H2,13,14);2-6H,12H2,1H3,(H2,13,14,15);2*2-5H,1H3,(H2,12,13);1-5H,(H2,11,13)(H2,12,14);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-4H,1H3;2-3H,1H3
InChIKeyMRRRPCSJHBUVAQ-UHFFFAOYSA-N
XLogP31.93
TPSA990.32 Ų
H-Bond Donors21
H-Bond Acceptors51
Rotatable Bonds9
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003438.47
LogP ≤ 531.93
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157396864
2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
CID 160932787
1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 162058468
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;7-methylquinazolin-4-amine
CID 172951228
1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide
CID 162200563
3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzenesulfonamide;6-methylisoquinolin-4-amine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinolin-2-amine
CID 158712926
8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;7-methylisoquinoline;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 159030923
6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide
CID 159564651
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;2-methyl-1,8-naphthyridine;6-methylquinazolin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158197970
3-chloro-6-methylpyridin-2-amine;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;4-hydroxy-3-methylbenzamide;N'-hydroxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzamide;N'-methoxy-3-methylbenzenecarboximidamide;5-methoxy-2-methylbenzenesulfonamide;2-methoxy-5-methylphenol;5-methoxy-2-methylphenol;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(3-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;2-methylpyridin-4-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 157295638
1-chloro-6-fluoro-7-methylnaphthalene;6-chloro-7-methylisoquinoline;7-chloro-6-methylisoquinoline;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;6-fluoroisoquinoline;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 158100030
5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine
CID 172943948

Frequently Asked Questions

What is the IUPAC name of 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The IUPAC name of 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (CID 159652060) is 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.
What is the SMILES notation for 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The canonical SMILES for 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ccccc1S(C)(=O)=O.NC(=O)c1ccc2c(N)nccc2c1.
What is the InChIKey of 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
The InChIKey is MRRRPCSJHBUVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C11H12N2O2S.C10H9ClN2.C10H9FN2.C10H9N3O.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O.C9H12O3S.C8H11NO3S.C8H10O2S.C6H6ClN.C5H5ClS/c1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;11-9-8-2-1-7(10(12)14)5-6(8)3-4-13-9;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h2-5H,6,12H2,1H3,(H2,13,14);2-6H,12H2,1H3,(H2,13,14,15);2*2-5H,1H3,(H2,12,13);1-5H,(H2,11,13)(H2,12,14);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-4H,1H3;2-3H,1H3.
What are the key properties of 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?
1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine has a molecular weight of 3438.47 g/mol, XLogP of 31.93, 9 rotatable bonds, 21 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is sourced from PubChem (CID 159652060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).