tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde

C105H128Cl3F7N14O14S3 — CID 160821882

About tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde

tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde (PubChem CID 160821882) has the molecular formula C105H128Cl3F7N14O14S3 and a molecular weight of 2145.81 g/mol. Its IUPAC name is tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 160821882
• Molecular Formula: C105H128Cl3F7N14O14S3
• Molecular Weight: 2145.81 g/mol
• Exact Mass: 2142.79
• IUPAC Name: tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CC(C)(C)OC=O.CCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(CC)CC3)nc12.CCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.CNC1CCC(N)CC1.O=CC(F)(F)F
• InChI: InChI=1S/C35H41ClFN5O5S.C31H34ClFN4O3S.C23H18ClF2N3O3S.C7H16N2.C5H10O2.C2HF3O.2CH4/c1-7-21-16-22(26-18-28(37)29(40-32(26)46-6)20-48(44,45)30-11-9-8-10-27(30)36)17-23-19-38-33(41-31(21)23)39-24-12-14-25(15-13-24)42(5)34(43)47-35(2,3)4;1-4-19-10-12-23(13-11-19)35-31-34-17-22-15-21(14-20(5-2)29(22)37-31)24-16-26(33)27(36-30(24)40-3)18-41(38,39)28-9-7-6-8-25(28)32;1-3-13-8-14(9-15-11-27-23(26)29-21(13)15)16-10-18(25)19(28-22(16)32-2)12-33(30,31)20-7-5-4-6-17(20)24;1-9-7-4-2-6(8)3-5-7;1-5(2,3)7-4-6;3-2(4,5)1-6;;/h8-11,16-19,24-25H,7,12-15,20H2,1-6H3,(H,38,39,41);6-9,14-17,19,23H,4-5,10-13,18H2,1-3H3,(H,34,35,37);4-11H,3,12H2,1-2H3;6-7,9H,2-5,8H2,1H3;4H,1-3H3;1H;2*1H4
• InChIKey: SFQQQSZCBRAMFI-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 381.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2145.81
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde (CID 160821882) is tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde is C.C.CC(C)(C)OC=O.CCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.CCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(CC)CC3)nc12.CCc1cc(-c2cc(F)c(CS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(NC3CCC(N(C)C(=O)OC(C)(C)C)CC3)nc12.CNC1CCC(N)CC1.O=CC(F)(F)F.

What is the InChIKey of tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde?

The InChIKey is SFQQQSZCBRAMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41ClFN5O5S.C31H34ClFN4O3S.C23H18ClF2N3O3S.C7H16N2.C5H10O2.C2HF3O.2CH4/c1-7-21-16-22(26-18-28(37)29(40-32(26)46-6)20-48(44,45)30-11-9-8-10-27(30)36)17-23-19-38-33(41-31(21)23)39-24-12-14-25(15-13-24)42(5)34(43)47-35(2,3)4;1-4-19-10-12-23(13-11-19)35-31-34-17-22-15-21(14-20(5-2)29(22)37-31)24-16-26(33)27(36-30(24)40-3)18-41(38,39)28-9-7-6-8-25(28)32;1-3-13-8-14(9-15-11-27-23(26)29-21(13)15)16-10-18(25)19(28-22(16)32-2)12-33(30,31)20-7-5-4-6-17(20)24;1-9-7-4-2-6(8)3-5-7;1-5(2,3)7-4-6;3-2(4,5)1-6;;/h8-11,16-19,24-25H,7,12-15,20H2,1-6H3,(H,38,39,41);6-9,14-17,19,23H,4-5,10-13,18H2,1-3H3,(H,34,35,37);4-11H,3,12H2,1-2H3;6-7,9H,2-5,8H2,1H3;4H,1-3H3;1H;2*1H4.

What are the key properties of tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde?

tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde has a molecular weight of 2145.81 g/mol, XLogP of 23.65, 26 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;methane;4-N-methylcyclohexane-1,4-diamine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160821882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).