1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide

C225H233Cl2F2N33O23S10 — CID 158332938

IUPAC1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide
SMILESCc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1CN.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.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.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O
InChIInChI=1S/2C12H12N2O.2C12H14N2.2C12H13NO2S.C12H12O2S.2C11H10ClN.2C11H10FN.C11H11N3O.C11H13N3.3C11H12N2O2S.2C11H11NO2S.C10H11N3O2S.C10H10N2O2S/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-13)3-2-4-12(11)14;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;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)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;1-8-6-9-4-2-3-5-10(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/h2*2-6H,13H2,1H3,(H2,14,15);2*2-6H,7,13-14H2,1H3;2*3-7H,13H2,1-2H3;3-8H,1-2H3;4*2-6H,13H2,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);2*2-6H,12H2,1H3,(H2,13,14,15);3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2-5H,1H3,(H2,11,13)(H2,12,14,15);2-6H,1H3,(H2,11,13,14)
InChIKeyGQFPOPWKUQOLIB-UHFFFAOYSA-N
MW4197.12 g/mol
LogP40.16
Rot. Bonds16

About 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide

1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide (PubChem CID 158332938) has the molecular formula C225H233Cl2F2N33O23S10 and a molecular weight of 4197.12 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide
PubChem CID158332938
Molecular FormulaC225H233Cl2F2N33O23S10
Molecular Weight4197.12 g/mol
Exact Mass4192.46
IUPAC Name1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide
SMILESCc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1CN.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.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.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O
InChIInChI=1S/2C12H12N2O.2C12H14N2.2C12H13NO2S.C12H12O2S.2C11H10ClN.2C11H10FN.C11H11N3O.C11H13N3.3C11H12N2O2S.2C11H11NO2S.C10H11N3O2S.C10H10N2O2S/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-13)3-2-4-12(11)14;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;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)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;1-8-6-9-4-2-3-5-10(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/h2*2-6H,13H2,1H3,(H2,14,15);2*2-6H,7,13-14H2,1H3;2*3-7H,13H2,1-2H3;3-8H,1-2H3;4*2-6H,13H2,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);2*2-6H,12H2,1H3,(H2,13,14,15);3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2-5H,1H3,(H2,11,13)(H2,12,14,15);2-6H,1H3,(H2,11,13,14)
InChIKeyGQFPOPWKUQOLIB-UHFFFAOYSA-N
XLogP40.16
TPSA1172.49 Ų
H-Bond Donors27
H-Bond Acceptors48
Rotatable Bonds16
Heavy Atoms295
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004197.12
LogP ≤ 540.16
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide?
The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide (CID 158332938) is 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide?
The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide is Cc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1CN.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.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.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.
What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide?
The InChIKey is GQFPOPWKUQOLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O.2C12H14N2.2C12H13NO2S.C12H12O2S.2C11H10ClN.2C11H10FN.C11H11N3O.C11H13N3.3C11H12N2O2S.2C11H11NO2S.C10H11N3O2S.C10H10N2O2S/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-13)3-2-4-12(11)14;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;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)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;1-8-6-9-4-2-3-5-10(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/h2*2-6H,13H2,1H3,(H2,14,15);2*2-6H,7,13-14H2,1H3;2*3-7H,13H2,1-2H3;3-8H,1-2H3;4*2-6H,13H2,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);2*2-6H,12H2,1H3,(H2,13,14,15);3-7H,1-2H3;2-7H,1H3,(H2,12,13,14);2-5H,1H3,(H2,11,13)(H2,12,14,15);2-6H,1H3,(H2,11,13,14).
What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide?
1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide has a molecular weight of 4197.12 g/mol, XLogP of 40.16, 16 rotatable bonds, 27 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methylisoquinoline-6-carboxamide;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;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 158332938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).