6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride

C103H141Cl2N24O12S3+ — CID 162073720

About 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride

6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride (PubChem CID 162073720) has the molecular formula C103H141Cl2N24O12S3+ and a molecular weight of 2074.52 g/mol. Its IUPAC name is 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride.

Molecular Properties

• Compound Name: 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride
• PubChem CID: 162073720
• Molecular Formula: C103H141Cl2N24O12S3+
• Molecular Weight: 2074.52 g/mol
• Exact Mass: 2071.97
• IUPAC Name: 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride
• SMILES: C1CC2CNC(C1)C2.CN(C)c1cc[n+](S(=O)(=O)NC(=O)OC(C)(C)C)cc1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4CC(C3)N(S(=O)(=O)NC(=O)OC(C)(C)C)C4)c2cc1C.Cc1cc2ncnc(N3CC4CC3CN(S(=O)(=O)NC(=O)OC(C)(C)C)C4)c2cc1C.Cc1cc2ncnc(N3CC4CNC(C4)C3)c2cc1C.Cc1cc2ncnc(N3CC4CNCC3C4)c2cc1C.Cl
• InChI: InChI=1S/2C21H29N5O4S.2C16H20N4.C12H19N3O4S.C10H9ClN2.C7H13N.ClH/c1-13-6-17-18(7-14(13)2)22-12-23-19(17)26-10-15-8-16(26)11-25(9-15)31(28,29)24-20(27)30-21(3,4)5;1-13-6-17-18(7-14(13)2)22-12-23-19(17)25-9-15-8-16(11-25)26(10-15)31(28,29)24-20(27)30-21(3,4)5;1-10-3-14-15(4-11(10)2)18-9-19-16(14)20-8-12-5-13(20)7-17-6-12;1-10-3-14-15(4-11(10)2)18-9-19-16(14)20-7-12-5-13(8-20)17-6-12;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;1-2-6-4-7(3-1)8-5-6;/h2*6-7,12,15-16H,8-11H2,1-5H3,(H,24,27);2*3-4,9,12-13,17H,5-8H2,1-2H3;6-9H,1-5H3;3-5H,1-2H3;6-8H,1-5H2;1H/p+1
• InChIKey: JWHHGESUNSLBBD-UHFFFAOYSA-O
• XLogP: 14.27
• TPSA: 408.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.52
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride?

The IUPAC name of 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride (CID 162073720) is 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride.

What is the SMILES notation for 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride?

The canonical SMILES for 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride is C1CC2CNC(C1)C2.CN(C)c1cc[n+](S(=O)(=O)NC(=O)OC(C)(C)C)cc1.Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(N3CC4CC(C3)N(S(=O)(=O)NC(=O)OC(C)(C)C)C4)c2cc1C.Cc1cc2ncnc(N3CC4CC3CN(S(=O)(=O)NC(=O)OC(C)(C)C)C4)c2cc1C.Cc1cc2ncnc(N3CC4CNC(C4)C3)c2cc1C.Cc1cc2ncnc(N3CC4CNCC3C4)c2cc1C.Cl.

What is the InChIKey of 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride?

The InChIKey is JWHHGESUNSLBBD-UHFFFAOYSA-O. The full InChI is InChI=1S/2C21H29N5O4S.2C16H20N4.C12H19N3O4S.C10H9ClN2.C7H13N.ClH/c1-13-6-17-18(7-14(13)2)22-12-23-19(17)26-10-15-8-16(26)11-25(9-15)31(28,29)24-20(27)30-21(3,4)5;1-13-6-17-18(7-14(13)2)22-12-23-19(17)25-9-15-8-16(11-25)26(10-15)31(28,29)24-20(27)30-21(3,4)5;1-10-3-14-15(4-11(10)2)18-9-19-16(14)20-8-12-5-13(20)7-17-6-12;1-10-3-14-15(4-11(10)2)18-9-19-16(14)20-7-12-5-13(8-20)17-6-12;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;1-2-6-4-7(3-1)8-5-6;/h2*6-7,12,15-16H,8-11H2,1-5H3,(H,24,27);2*3-4,9,12-13,17H,5-8H2,1-2H3;6-9H,1-5H3;3-5H,1-2H3;6-8H,1-5H2;1H/p+1.

What are the key properties of 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride?

6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride has a molecular weight of 2074.52 g/mol, XLogP of 14.27, 11 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-azabicyclo[3.2.1]octane;tert-butyl N-[4-(dimethylamino)pyridin-1-ium-1-yl]sulfonylcarbamate;tert-butyl N-[[3-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-6-yl]sulfonyl]carbamate;tert-butyl N-[[6-(6,7-dimethylquinazolin-4-yl)-3,6-diazabicyclo[3.2.1]octan-3-yl]sulfonyl]carbamate;4-chloro-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethylquinazoline;4-(3,6-diazabicyclo[3.2.1]octan-6-yl)-6,7-dimethylquinazoline;hydrochloride is sourced from PubChem (CID 162073720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).