1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine

C186H200Cl3F3N32O3 — CID 158411144

About 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine

1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine (PubChem CID 158411144) has the molecular formula C186H200Cl3F3N32O3 and a molecular weight of 3095.22 g/mol. Its IUPAC name is 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine.

Molecular Properties

• Compound Name: 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine
• PubChem CID: 158411144
• Molecular Formula: C186H200Cl3F3N32O3
• Molecular Weight: 3095.22 g/mol
• Exact Mass: 3091.55
• IUPAC Name: 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine
• SMILES: Cc1c(C(N)=O)cc2c(N)cccc2c1C.Cc1c(C(N)=O)cc2cccc(N)c2c1C.Cc1c(C(N)=O)cc2ccnc(N)c2c1C.Cc1c(CN)cc2cccc(N)c2c1C.Cc1c(CN)cc2ccnc(N)c2c1C.Cc1c(Cl)cc2c(N)cccc2c1C.Cc1c(Cl)cc2cccc(N)c2c1C.Cc1c(Cl)cc2ccnc(N)c2c1C.Cc1c(F)cc2c(N)cccc2c1C.Cc1c(F)cc2cccc(N)c2c1C.Cc1c(F)cc2ccnc(N)c2c1C.Cc1cc2ccc(N)nc2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C
• InChI: InChI=1S/2C13H14N2O.C13H16N2.2C12H12ClN.2C12H12FN.C12H13N3O.C12H15N3.C11H11ClN2.C11H11FN2.3C11H12N2.2C10H11N3/c1-7-8(2)10(13(15)16)6-11-9(7)4-3-5-12(11)14;1-7-8(2)12-9(4-3-5-11(12)14)6-10(7)13(15)16;1-8-9(2)13-10(6-11(8)7-14)4-3-5-12(13)15;1-7-8(2)11(13)6-10-9(7)4-3-5-12(10)14;1-7-8(2)12-9(6-10(7)13)4-3-5-11(12)14;1-7-8(2)11(13)6-10-9(7)4-3-5-12(10)14;1-7-8(2)12-9(6-10(7)13)4-3-5-11(12)14;1-6-7(2)10-8(3-4-15-11(10)13)5-9(6)12(14)16;1-7-8(2)11-9(5-10(7)6-13)3-4-15-12(11)14;2*1-6-7(2)10-8(5-9(6)12)3-4-14-11(10)13;2*1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-7-5-9-3-4-11(12)13-10(9)6-8(7)2;2*1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h2*3-6H,14H2,1-2H3,(H2,15,16);3-6H,7,14-15H2,1-2H3;4*3-6H,14H2,1-2H3;3-5H,1-2H3,(H2,13,15)(H2,14,16);3-5H,6,13H2,1-2H3,(H2,14,15);2*3-5H,1-2H3,(H2,13,14);3*3-6H,1-2H3,(H2,12,13);2*3-5H,1-2H3,(H2,11,12,13)
• InChIKey: GZICSGGTPMXZES-UHFFFAOYSA-N
• XLogP: 40.56
• TPSA: 739.42 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 32
• Rotatable Bonds: 5
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3095.22
LogP ≤ 5	40.56
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine?

The IUPAC name of 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine (CID 158411144) is 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine.

What is the SMILES notation for 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine?

The canonical SMILES for 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine is Cc1c(C(N)=O)cc2c(N)cccc2c1C.Cc1c(C(N)=O)cc2cccc(N)c2c1C.Cc1c(C(N)=O)cc2ccnc(N)c2c1C.Cc1c(CN)cc2cccc(N)c2c1C.Cc1c(CN)cc2ccnc(N)c2c1C.Cc1c(Cl)cc2c(N)cccc2c1C.Cc1c(Cl)cc2cccc(N)c2c1C.Cc1c(Cl)cc2ccnc(N)c2c1C.Cc1c(F)cc2c(N)cccc2c1C.Cc1c(F)cc2cccc(N)c2c1C.Cc1c(F)cc2ccnc(N)c2c1C.Cc1cc2ccc(N)nc2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C.

What is the InChIKey of 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine?

The InChIKey is GZICSGGTPMXZES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14N2O.C13H16N2.2C12H12ClN.2C12H12FN.C12H13N3O.C12H15N3.C11H11ClN2.C11H11FN2.3C11H12N2.2C10H11N3/c1-7-8(2)10(13(15)16)6-11-9(7)4-3-5-12(11)14;1-7-8(2)12-9(4-3-5-11(12)14)6-10(7)13(15)16;1-8-9(2)13-10(6-11(8)7-14)4-3-5-12(13)15;1-7-8(2)11(13)6-10-9(7)4-3-5-12(10)14;1-7-8(2)12-9(6-10(7)13)4-3-5-11(12)14;1-7-8(2)11(13)6-10-9(7)4-3-5-12(10)14;1-7-8(2)12-9(6-10(7)13)4-3-5-11(12)14;1-6-7(2)10-8(3-4-15-11(10)13)5-9(6)12(14)16;1-7-8(2)11-9(5-10(7)6-13)3-4-15-12(11)14;2*1-6-7(2)10-8(5-9(6)12)3-4-14-11(10)13;2*1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-7-5-9-3-4-11(12)13-10(9)6-8(7)2;2*1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h2*3-6H,14H2,1-2H3,(H2,15,16);3-6H,7,14-15H2,1-2H3;4*3-6H,14H2,1-2H3;3-5H,1-2H3,(H2,13,15)(H2,14,16);3-5H,6,13H2,1-2H3,(H2,14,15);2*3-5H,1-2H3,(H2,13,14);3*3-6H,1-2H3,(H2,12,13);2*3-5H,1-2H3,(H2,11,12,13).

What are the key properties of 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine?

1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine has a molecular weight of 3095.22 g/mol, XLogP of 40.56, 5 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-7,8-dimethylisoquinoline-6-carboxamide;5-amino-3,4-dimethylnaphthalene-2-carboxamide;8-amino-3,4-dimethylnaphthalene-2-carboxamide;6-(aminomethyl)-7,8-dimethylisoquinolin-1-amine;6-(aminomethyl)-7,8-dimethylnaphthalen-1-amine;6-chloro-7,8-dimethylisoquinolin-1-amine;6-chloro-7,8-dimethylnaphthalen-1-amine;7-chloro-5,6-dimethylnaphthalen-1-amine;bis(6,7-dimethylisoquinolin-1-amine);bis(6,7-dimethylquinazolin-4-amine);6,7-dimethylquinolin-2-amine;6-fluoro-7,8-dimethylisoquinolin-1-amine;6-fluoro-7,8-dimethylnaphthalen-1-amine;7-fluoro-5,6-dimethylnaphthalen-1-amine is sourced from PubChem (CID 158411144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).