1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C213H189Cl18FN34O8S5 — CID 160841162

IUPAC1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2cc(Cl)ccc2o1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2o1.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2[nH]1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2[nH]1.Cc1cc2ncc(Cl)cc2[nH]1.Cc1cc2occ(Cl)c2cn1.Cc1cc2scc(Cl)c2cn1.Cc1ccc2c(Cl)[nH]nc2c1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C11H11N3O.C11H13N3.C10H9ClN2.2C10H8ClN.C10H9FN2.2C9H7ClO.2C9H7ClS.2C9H10N2O.C9H12N2.5C8H7ClN2.3C8H6ClNO.3C8H6ClNS/c1-6-4-9-7(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;1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8-3-2-6-10-9(8)11-7;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-2-6-3-8(9)10-4-7(6)11-5;1-5-4-7-6(10-5)2-3-8(9)11-7;1-5-4-6-2-3-7(9)11-8(6)10-5;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5/h2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2-5H,1H3,(H2,12,13);2*2-6H,1H3;2-5H,1H3,(H2,12,13);4*2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2*2-4,11H,1H3;2-4,10H,1H3;2*2-4H,1H3,(H,10,11);6*2-4H,1H3
InChIKeySIAYSCQRPFZGDV-UHFFFAOYSA-N
MW4170.57 g/mol
LogP63.57
Rot. Bonds2

About 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 160841162) has the molecular formula C213H189Cl18FN34O8S5 and a molecular weight of 4170.57 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID160841162
Molecular FormulaC213H189Cl18FN34O8S5
Molecular Weight4170.57 g/mol
Exact Mass4158.84
IUPAC Name1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2cc(Cl)ccc2o1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2o1.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2[nH]1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2[nH]1.Cc1cc2ncc(Cl)cc2[nH]1.Cc1cc2occ(Cl)c2cn1.Cc1cc2scc(Cl)c2cn1.Cc1ccc2c(Cl)[nH]nc2c1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C11H11N3O.C11H13N3.C10H9ClN2.2C10H8ClN.C10H9FN2.2C9H7ClO.2C9H7ClS.2C9H10N2O.C9H12N2.5C8H7ClN2.3C8H6ClNO.3C8H6ClNS/c1-6-4-9-7(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;1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8-3-2-6-10-9(8)11-7;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-2-6-3-8(9)10-4-7(6)11-5;1-5-4-7-6(10-5)2-3-8(9)11-7;1-5-4-6-2-3-7(9)11-8(6)10-5;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5/h2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2-5H,1H3,(H2,12,13);2*2-6H,1H3;2-5H,1H3,(H2,12,13);4*2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2*2-4,11H,1H3;2-4,10H,1H3;2*2-4H,1H3,(H,10,11);6*2-4H,1H3
InChIKeySIAYSCQRPFZGDV-UHFFFAOYSA-N
XLogP63.57
TPSA657.11 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds2
Heavy Atoms279
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004170.57
LogP ≤ 563.57
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 160841162) is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2cc(Cl)ccc2o1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2cc(Cl)cnc2o1.Cc1cc2cc(Cl)ncc2[nH]1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2[nH]1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2[nH]1.Cc1cc2ncc(Cl)cc2[nH]1.Cc1cc2occ(Cl)c2cn1.Cc1cc2scc(Cl)c2cn1.Cc1ccc2c(Cl)[nH]nc2c1.Cc1ccc2c(Cl)coc2c1.Cc1ccc2c(Cl)coc2n1.Cc1ccc2c(Cl)csc2n1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2nc(Cl)ccc2c1.Cc1cnc2cc(Cl)ccc2c1.
What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is SIAYSCQRPFZGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C11H13N3.C10H9ClN2.2C10H8ClN.C10H9FN2.2C9H7ClO.2C9H7ClS.2C9H10N2O.C9H12N2.5C8H7ClN2.3C8H6ClNO.3C8H6ClNS/c1-6-4-9-7(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;1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-2-3-7-8(10)5-11-9(7)4-6;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8-3-2-6-10-9(8)11-7;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-2-6-3-8(9)10-4-7(6)11-5;1-5-4-7-6(10-5)2-3-8(9)11-7;1-5-4-6-2-3-7(9)11-8(6)10-5;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-2-6-3-7(9)4-10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-4-6-2-3-7(9)10-8(6)11-5;1-5-2-3-6-7(9)4-11-8(6)10-5/h2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2-5H,1H3,(H2,12,13);2*2-6H,1H3;2-5H,1H3,(H2,12,13);4*2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2*2-4,11H,1H3;2-4,10H,1H3;2*2-4H,1H3,(H,10,11);6*2-4H,1H3.
What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 4170.57 g/mol, XLogP of 63.57, 2 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;3-chloro-6-methyl-1-benzofuran;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methylfuro[2,3-b]pyridine;5-chloro-2-methylfuro[2,3-b]pyridine;3-chloro-6-methylfuro[3,2-c]pyridine;3-chloro-6-methyl-2H-indazole;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-chloro-2-methyl-1H-pyrrolo[3,2-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;3-chloro-6-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;3-chloro-6-methylthieno[3,2-c]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 160841162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).