1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline

C177H181ClFN23O23S11 — CID 158339952

IUPAC1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline
SMILESCc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1C(N)=O.Cc1cc2cccc(N)c2cc1CN.Cc1cc2cccc(N)c2cc1Cl.Cc1cc2cccc(N)c2cc1F.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2cccnc2c1
InChIInChI=1S/C12H12N2O.C12H14N2.2C12H13NO2S.C12H12O2S.C11H10ClN.C11H10FN.2C11H12N2O2S.3C11H11NO2S.C10H11N3O2S.2C10H10N2O2S.C10H9N/c1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15;1-8-5-9-3-2-4-12(14)11(9)6-10(8)7-13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-3-5-11(13)10(9)7-12(8)16(2,14)15;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;2*1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16(12,14)15;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14;1-8-4-5-9-3-2-6-11-10(9)7-8/h2-6H,13H2,1H3,(H2,14,15);2-6H,7,13-14H2,1H3;2*3-7H,13H2,1-2H3;3-8H,1-2H3;2*2-6H,13H2,1H3;3-6H,1-2H3,(H2,12,13);2-6H,12H2,1H3,(H2,13,14,15);2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2-5H,1H3,(H2,11,13)(H2,12,14,15);2*2-6H,1H3,(H2,11,13,14);2-7H,1H3
InChIKeyGRAOKECQGCYIPT-UHFFFAOYSA-N
MW3405.72 g/mol
LogP31.38
Rot. Bonds13

About 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline

1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline (PubChem CID 158339952) has the molecular formula C177H181ClFN23O23S11 and a molecular weight of 3405.72 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline.

Molecular Properties

Compound Name1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline
PubChem CID158339952
Molecular FormulaC177H181ClFN23O23S11
Molecular Weight3405.72 g/mol
Exact Mass3402.03
IUPAC Name1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline
SMILESCc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1C(N)=O.Cc1cc2cccc(N)c2cc1CN.Cc1cc2cccc(N)c2cc1Cl.Cc1cc2cccc(N)c2cc1F.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2cccnc2c1
InChIInChI=1S/C12H12N2O.C12H14N2.2C12H13NO2S.C12H12O2S.C11H10ClN.C11H10FN.2C11H12N2O2S.3C11H11NO2S.C10H11N3O2S.2C10H10N2O2S.C10H9N/c1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15;1-8-5-9-3-2-4-12(14)11(9)6-10(8)7-13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-3-5-11(13)10(9)7-12(8)16(2,14)15;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;2*1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16(12,14)15;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14;1-8-4-5-9-3-2-6-11-10(9)7-8/h2-6H,13H2,1H3,(H2,14,15);2-6H,7,13-14H2,1H3;2*3-7H,13H2,1-2H3;3-8H,1-2H3;2*2-6H,13H2,1H3;3-6H,1-2H3,(H2,12,13);2-6H,12H2,1H3,(H2,13,14,15);2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2-5H,1H3,(H2,11,13)(H2,12,14,15);2*2-6H,1H3,(H2,11,13,14);2-7H,1H3
InChIKeyGRAOKECQGCYIPT-UHFFFAOYSA-N
XLogP31.38
TPSA899.16 Ų
H-Bond Donors16
H-Bond Acceptors40
Rotatable Bonds13
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003405.72
LogP ≤ 531.38
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 157273980
1-chloro-2-methyl-4-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-5-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylaniline;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfinamide;4-propan-2-ylbenzenesulfinamide;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;N-(2-propan-2-ylphenyl)formamide;(2-propan-2-ylphenyl)methanesulfinate;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1-propan-2-yl-4-(trifluoromethyl)benzene;sulfur monoxide
CID 159024313
1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157078920
1-Amino-7-methylisoquinoline-6-sulfonamide;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;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline
CID 157144323
1-Chloro-6-fluoro-7-methylnaphthalene;6-chloro-7-methylisoquinoline;7-chloro-6-methylisoquinoline;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;6-methylisoquinoline-7-sulfonamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157177105
1-Amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinoline;7-chloro-6-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylnaphthalen-1-amine;7-methylisoquinoline-6-carboxamide;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline
CID 157178674
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-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157280706
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-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;5-chloro-3-methylnaphthalene-2-sulfonamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;6-methylisoquinoline-7-sulfonamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;6-methyl-7-methylsulfonylisoquinoline;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157310984
1-Amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;5-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;6-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157323412
7-(Aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;1-chloro-6-fluoro-7-methylnaphthalene;6-chloro-7-methylisoquinoline;7-chloro-6-methylisoquinoline;7-chloro-6-methylnaphthalen-1-amine;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;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;6-methyl-7-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline
CID 157346626
2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157428225
1-Amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6,7-dimethylisoquinolin-1-amine;bis(6,7-dimethylnaphthalen-1-amine);6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine
CID 157429463

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline?
The IUPAC name of 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline (CID 158339952) is 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline.
What is the SMILES notation for 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline?
The canonical SMILES for 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline is Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1C(N)=O.Cc1cc2cccc(N)c2cc1CN.Cc1cc2cccc(N)c2cc1Cl.Cc1cc2cccc(N)c2cc1F.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2cccnc2c1.
What is the InChIKey of 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline?
The InChIKey is GRAOKECQGCYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C12H14N2.2C12H13NO2S.C12H12O2S.C11H10ClN.C11H10FN.2C11H12N2O2S.3C11H11NO2S.C10H11N3O2S.2C10H10N2O2S.C10H9N/c1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15;1-8-5-9-3-2-4-12(14)11(9)6-10(8)7-13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-3-5-11(13)10(9)7-12(8)16(2,14)15;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;2*1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16(12,14)15;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14;1-8-4-5-9-3-2-6-11-10(9)7-8/h2-6H,13H2,1H3,(H2,14,15);2-6H,7,13-14H2,1H3;2*3-7H,13H2,1-2H3;3-8H,1-2H3;2*2-6H,13H2,1H3;3-6H,1-2H3,(H2,12,13);2-6H,12H2,1H3,(H2,13,14,15);2*3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2-5H,1H3,(H2,11,13)(H2,12,14,15);2*2-6H,1H3,(H2,11,13,14);2-7H,1H3.
What are the key properties of 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline?
1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline has a molecular weight of 3405.72 g/mol, XLogP of 31.38, 13 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methylisoquinoline-6-sulfonamide;7-(aminomethyl)-6-methylnaphthalen-1-amine;8-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-sulfonamide;7-chloro-6-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;7-methylquinoline is sourced from PubChem (CID 158339952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).