2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride

C69H104Cl2N20O12S3 — CID 158262079

About 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride

2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride (PubChem CID 158262079) has the molecular formula C69H104Cl2N20O12S3 and a molecular weight of 1572.83 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride.

Molecular Properties

• Compound Name: 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride
• PubChem CID: 158262079
• Molecular Formula: C69H104Cl2N20O12S3
• Molecular Weight: 1572.83 g/mol
• Exact Mass: 1570.67
• IUPAC Name: 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride
• SMILES: CN(C)c1cc[n+](S(=O)(=O)NC(=O)OC(C)(C)C)cc1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(NCCOCCN)c2cc1C.Cc1cc2ncnc(NCCOCCNS(C)(=O)=O)c2cc1C.Cc1cc2ncnc(NCCOCCNS(N)(=O)=O)c2cc1C.NCCOCCN.[Cl-]
• InChI: InChI=1S/C15H22N4O3S.C14H21N5O3S.C14H20N4O.C12H19N3O4S.C10H9ClN2.C4H12N2O.ClH/c1-11-8-13-14(9-12(11)2)17-10-18-15(13)16-4-6-22-7-5-19-23(3,20)21;1-10-7-12-13(8-11(10)2)17-9-18-14(12)16-3-5-22-6-4-19-23(15,20)21;1-10-7-12-13(8-11(10)2)17-9-18-14(12)16-4-6-19-5-3-15;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;5-1-3-7-4-2-6;/h8-10,19H,4-7H2,1-3H3,(H,16,17,18);7-9,19H,3-6H2,1-2H3,(H2,15,20,21)(H,16,17,18);7-9H,3-6,15H2,1-2H3,(H,16,17,18);6-9H,1-5H3;3-5H,1-2H3;1-6H2;1H
• InChIKey: JZNVEKBAJRKXDH-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 452.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1572.83
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride?

The IUPAC name of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride (CID 158262079) is 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride.

What is the SMILES notation for 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride?

The canonical SMILES for 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride is CN(C)c1cc[n+](S(=O)(=O)NC(=O)OC(C)(C)C)cc1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(NCCOCCN)c2cc1C.Cc1cc2ncnc(NCCOCCNS(C)(=O)=O)c2cc1C.Cc1cc2ncnc(NCCOCCNS(N)(=O)=O)c2cc1C.NCCOCCN.[Cl-].

What is the InChIKey of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride?

The InChIKey is JZNVEKBAJRKXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S.C14H21N5O3S.C14H20N4O.C12H19N3O4S.C10H9ClN2.C4H12N2O.ClH/c1-11-8-13-14(9-12(11)2)17-10-18-15(13)16-4-6-22-7-5-19-23(3,20)21;1-10-7-12-13(8-11(10)2)17-9-18-14(12)16-3-5-22-6-4-19-23(15,20)21;1-10-7-12-13(8-11(10)2)17-9-18-14(12)16-4-6-19-5-3-15;1-12(2,3)19-11(16)13-20(17,18)15-8-6-10(7-9-15)14(4)5;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;5-1-3-7-4-2-6;/h8-10,19H,4-7H2,1-3H3,(H,16,17,18);7-9,19H,3-6H2,1-2H3,(H2,15,20,21)(H,16,17,18);7-9H,3-6,15H2,1-2H3,(H,16,17,18);6-9H,1-5H3;3-5H,1-2H3;1-6H2;1H.

What are the key properties of 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride?

2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride has a molecular weight of 1572.83 g/mol, XLogP of 2.81, 29 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxy)ethanamine;N-[2-(2-aminoethoxy)ethyl]-6,7-dimethylquinazolin-4-amine;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;4-chloro-6,7-dimethylquinazoline;N-[2-[2-[(6,7-dimethylquinazolin-4-yl)amino]ethoxy]ethyl]methanesulfonamide;6,7-dimethyl-4-[2-[2-(sulfamoylamino)ethoxy]ethylamino]quinazoline;chloride is sourced from PubChem (CID 158262079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).