tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde

C108H138F4N14O14S3 — CID 159025656

About tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde

tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 159025656) has the molecular formula C108H138F4N14O14S3 and a molecular weight of 2028.57 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159025656
• Molecular Formula: C108H138F4N14O14S3
• Molecular Weight: 2028.57 g/mol
• Exact Mass: 2026.96
• IUPAC Name: tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(CC)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.CN(C(=O)OC(C)(C)C)C1CCC(N)CC1.O=CC(F)(F)F
• InChI: InChI=1S/C36H45N5O5S.C32H38N4O3S.C24H22FN3O3S.C12H24N2O2.C2HF3O.2CH4/c1-8-24-19-25(30-18-15-28(38-33(30)45-7)22-47(43,44)31-12-10-9-11-23(31)2)20-26-21-37-34(40-32(24)26)39-27-13-16-29(17-14-27)41(6)35(42)46-36(3,4)5;1-5-22-11-13-26(14-12-22)35-32-33-19-25-18-24(17-23(6-2)30(25)36-32)28-16-15-27(34-31(28)39-4)20-40(37,38)29-10-8-7-9-21(29)3;1-4-16-11-17(12-18-13-26-24(25)28-22(16)18)20-10-9-19(27-23(20)31-3)14-32(29,30)21-8-6-5-7-15(21)2;1-12(2,3)16-11(15)14(4)10-7-5-9(13)6-8-10;3-2(4,5)1-6;;/h9-12,15,18-21,27,29H,8,13-14,16-17,22H2,1-7H3,(H,37,39,40);7-10,15-19,22,26H,5-6,11-14,20H2,1-4H3,(H,33,35,36);5-13H,4,14H2,1-3H3;9-10H,5-8,13H2,1-4H3;1H;2*1H4
• InChIKey: JUGBBZDENXVBIB-UHFFFAOYSA-N
• XLogP: 22.89
• TPSA: 372.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.57
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde (CID 159025656) is tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde is C.C.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(CC)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3C)nc2OC)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.CN(C(=O)OC(C)(C)C)C1CCC(N)CC1.O=CC(F)(F)F.

What is the InChIKey of tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde?

The InChIKey is JUGBBZDENXVBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N5O5S.C32H38N4O3S.C24H22FN3O3S.C12H24N2O2.C2HF3O.2CH4/c1-8-24-19-25(30-18-15-28(38-33(30)45-7)22-47(43,44)31-12-10-9-11-23(31)2)20-26-21-37-34(40-32(24)26)39-27-13-16-29(17-14-27)41(6)35(42)46-36(3,4)5;1-5-22-11-13-26(14-12-22)35-32-33-19-25-18-24(17-23(6-2)30(25)36-32)28-16-15-27(34-31(28)39-4)20-40(37,38)29-10-8-7-9-21(29)3;1-4-16-11-17(12-18-13-26-24(25)28-22(16)18)20-10-9-19(27-23(20)31-3)14-32(29,30)21-8-6-5-7-15(21)2;1-12(2,3)16-11(15)14(4)10-7-5-9(13)6-8-10;3-2(4,5)1-6;;/h9-12,15,18-21,27,29H,8,13-14,16-17,22H2,1-7H3,(H,37,39,40);7-10,15-19,22,26H,5-6,11-14,20H2,1-4H3,(H,33,35,36);5-13H,4,14H2,1-3H3;9-10H,5-8,13H2,1-4H3;1H;2*1H4.

What are the key properties of tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde?

tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 2028.57 g/mol, XLogP of 22.89, 25 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[8-ethyl-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;8-ethyl-N-(4-ethylcyclohexyl)-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazolin-2-amine;8-ethyl-2-fluoro-6-[2-methoxy-6-[(2-methylphenyl)sulfonylmethyl]-3-pyridinyl]quinazoline;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159025656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).