1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine

C242H248BrCl6N41O9S6 — CID 159450233

IUPAC1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCOOSc1cc2ccnc(N)c2cc1C.COOSc1ccc(CN)cc1C.Cc1cc(CN)ccc1N.Cc1cc(CN)ccc1SOON.Cc1cc2[nH]ccc2cn1.Cc1cc2c(N)nccc2cc1N.Cc1cc2c(N)nccc2cc1N.Cc1cc2c(N)nccc2cc1O.Cc1cc2c(N)nccc2cc1SOON.Cc1cc2c(N)nccc2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc[nH]c2cn1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccnc(N)c2cc1C.Cc1ccc2[nH]c(Cl)cc2c1.Cc1ccc2[nH]c(Cl)cc2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2n1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccnc(N)c2c1.[C-]#[N+]c1ccc(CN)cc1C
InChIInChI=1S/C11H9Br.C11H9Cl.C11H12N2O2S.C11H12N2.C10H11N3O2S.2C10H11N3.C10H10N2O.C10H10N2.C10H9N.3C9H8ClN.2C9H7ClS.C9H9N3.C9H10N2.C9H13NO2S.2C9H9N.C8H12N2O2S.4C8H8N2.C8H12N2/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16-15-14-2;1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16-15-14-12;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-8-7(5-9(6)13)2-3-12-10(8)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-6-9-4-2-3-5-10(9)7-11-8;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-2-3-8-7(4-6)5-9(10)11-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-8-7(5-12-6)2-3-11-9(8)10;1-7-5-8(6-10)3-4-9(7)11-2;1-7-5-8(6-10)3-4-9(7)13-12-11-2;1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-7(5-9)2-3-8(6)13-12-11-10;1-6-4-8-7(5-10-6)2-3-9-8;1-6-4-7-2-3-9-8(7)5-10-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(10-6)4-5-9-7;1-6-4-7(5-9)2-3-8(6)10/h2*2-7H,1H3;3-6H,1-2H3,(H2,12,13);3-6H,1-2H3,(H2,12,13);2-5H,12H2,1H3,(H2,11,13);2*2-5H,11H2,1H3,(H2,12,13);2-5,13H,1H3,(H2,11,12);2-6H,1H3,(H2,11,12);2-7H,1H3;3*2-5,11H,1H3;2*2-5H,1H3;2-5H,1H3,(H2,10,11);3-5H,6,10H2,1H3;3-5H,6,10H2,1-2H3;2*2-6,10H,1H3;2-4H,5,9-10H2,1H3;2*2-5,9H,1H3;2-5H,1H3,(H,9,10);2-5,9H,1H3;2-4H,5,9-10H2,1H3
InChIKeyLTGWXXFFCJXXLT-UHFFFAOYSA-N
MW4359.95 g/mol
LogP62.16
Rot. Bonds16

About 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine

1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 159450233) has the molecular formula C242H248BrCl6N41O9S6 and a molecular weight of 4359.95 g/mol. Its IUPAC name is 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID159450233
Molecular FormulaC242H248BrCl6N41O9S6
Molecular Weight4359.95 g/mol
Exact Mass4352.58
IUPAC Name1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCOOSc1cc2ccnc(N)c2cc1C.COOSc1ccc(CN)cc1C.Cc1cc(CN)ccc1N.Cc1cc(CN)ccc1SOON.Cc1cc2[nH]ccc2cn1.Cc1cc2c(N)nccc2cc1N.Cc1cc2c(N)nccc2cc1N.Cc1cc2c(N)nccc2cc1O.Cc1cc2c(N)nccc2cc1SOON.Cc1cc2c(N)nccc2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc[nH]c2cn1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccnc(N)c2cc1C.Cc1ccc2[nH]c(Cl)cc2c1.Cc1ccc2[nH]c(Cl)cc2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2n1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccnc(N)c2c1.[C-]#[N+]c1ccc(CN)cc1C
InChIInChI=1S/C11H9Br.C11H9Cl.C11H12N2O2S.C11H12N2.C10H11N3O2S.2C10H11N3.C10H10N2O.C10H10N2.C10H9N.3C9H8ClN.2C9H7ClS.C9H9N3.C9H10N2.C9H13NO2S.2C9H9N.C8H12N2O2S.4C8H8N2.C8H12N2/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16-15-14-2;1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16-15-14-12;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-8-7(5-9(6)13)2-3-12-10(8)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-6-9-4-2-3-5-10(9)7-11-8;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-2-3-8-7(4-6)5-9(10)11-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-8-7(5-12-6)2-3-11-9(8)10;1-7-5-8(6-10)3-4-9(7)11-2;1-7-5-8(6-10)3-4-9(7)13-12-11-2;1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-7(5-9)2-3-8(6)13-12-11-10;1-6-4-8-7(5-10-6)2-3-9-8;1-6-4-7-2-3-9-8(7)5-10-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(10-6)4-5-9-7;1-6-4-7(5-9)2-3-8(6)10/h2*2-7H,1H3;3-6H,1-2H3,(H2,12,13);3-6H,1-2H3,(H2,12,13);2-5H,12H2,1H3,(H2,11,13);2*2-5H,11H2,1H3,(H2,12,13);2-5,13H,1H3,(H2,11,12);2-6H,1H3,(H2,11,12);2-7H,1H3;3*2-5,11H,1H3;2*2-5H,1H3;2-5H,1H3,(H2,10,11);3-5H,6,10H2,1H3;3-5H,6,10H2,1-2H3;2*2-6,10H,1H3;2-4H,5,9-10H2,1H3;2*2-5,9H,1H3;2-5H,1H3,(H,9,10);2-5,9H,1H3;2-4H,5,9-10H2,1H3
InChIKeyLTGWXXFFCJXXLT-UHFFFAOYSA-N
XLogP62.16
TPSA863.34 Ų
H-Bond Donors27
H-Bond Acceptors46
Rotatable Bonds16
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004359.95
LogP ≤ 562.16
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1046

Analyze 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine (CID 159450233) is 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine is COOSc1cc2ccnc(N)c2cc1C.COOSc1ccc(CN)cc1C.Cc1cc(CN)ccc1N.Cc1cc(CN)ccc1SOON.Cc1cc2[nH]ccc2cn1.Cc1cc2c(N)nccc2cc1N.Cc1cc2c(N)nccc2cc1N.Cc1cc2c(N)nccc2cc1O.Cc1cc2c(N)nccc2cc1SOON.Cc1cc2c(N)nccc2cn1.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc[nH]c2cn1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2cn1.Cc1cc2ccnc(N)c2cc1C.Cc1ccc2[nH]c(Cl)cc2c1.Cc1ccc2[nH]c(Cl)cc2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2n1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Br)cc2c1.Cc1ccc2ccnc(N)c2c1.[C-]#[N+]c1ccc(CN)cc1C.
What is the InChIKey of 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is LTGWXXFFCJXXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C11H9Cl.C11H12N2O2S.C11H12N2.C10H11N3O2S.2C10H11N3.C10H10N2O.C10H10N2.C10H9N.3C9H8ClN.2C9H7ClS.C9H9N3.C9H10N2.C9H13NO2S.2C9H9N.C8H12N2O2S.4C8H8N2.C8H12N2/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16-15-14-2;1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16-15-14-12;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-8-7(5-9(6)13)2-3-12-10(8)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-6-9-4-2-3-5-10(9)7-11-8;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-2-3-8-7(4-6)5-9(10)11-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-8-7(5-12-6)2-3-11-9(8)10;1-7-5-8(6-10)3-4-9(7)11-2;1-7-5-8(6-10)3-4-9(7)13-12-11-2;1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-7(5-9)2-3-8(6)13-12-11-10;1-6-4-8-7(5-10-6)2-3-9-8;1-6-4-7-2-3-9-8(7)5-10-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(10-6)4-5-9-7;1-6-4-7(5-9)2-3-8(6)10/h2*2-7H,1H3;3-6H,1-2H3,(H2,12,13);3-6H,1-2H3,(H2,12,13);2-5H,12H2,1H3,(H2,11,13);2*2-5H,11H2,1H3,(H2,12,13);2-5,13H,1H3,(H2,11,12);2-6H,1H3,(H2,11,12);2-7H,1H3;3*2-5,11H,1H3;2*2-5H,1H3;2-5H,1H3,(H2,10,11);3-5H,6,10H2,1H3;3-5H,6,10H2,1-2H3;2*2-6,10H,1H3;2-4H,5,9-10H2,1H3;2*2-5,9H,1H3;2-5H,1H3,(H,9,10);2-5,9H,1H3;2-4H,5,9-10H2,1H3.
What are the key properties of 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine?
1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 4359.95 g/mol, XLogP of 62.16, 16 rotatable bonds, 27 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methylisoquinolin-6-ol;O-(1-amino-7-methylisoquinolin-6-yl)sulfanyloxyhydroxylamine;4-(aminomethyl)-2-methylaniline;O-[4-(aminomethyl)-2-methylphenyl]sulfanyloxyhydroxylamine;2-bromo-7-methylnaphthalene;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;bis(2-chloro-5-methyl-1H-indole);5-chloro-2-methyl-1H-indole;2-chloro-6-methylnaphthalene;6,7-dimethylisoquinolin-1-amine;(4-isocyano-3-methylphenyl)methanamine;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;7-methylisoquinolin-1-amine;3-methylisoquinoline;bis(7-methylisoquinoline-1,6-diamine);7-methyl-6-methylperoxysulfanylisoquinolin-1-amine;(3-methyl-4-methylperoxysulfanylphenyl)methanamine;7-methyl-2,6-naphthyridin-1-amine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 159450233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).