tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine

C96H109Cl3F4N14O11S3 — CID 167623973

IUPACtert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine
SMILESCCc1cc(-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
InChIInChI=1S/C35H41ClFN5O5S.C31H34ClFN4O3S.C23H18ClF2N3O3S.C7H16N2/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/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
InChIKeyMVEUGELCZDQDKL-UHFFFAOYSA-N
MW1913.57 g/mol
LogP20.67
Rot. Bonds25

About tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine

tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine (PubChem CID 167623973) has the molecular formula C96H109Cl3F4N14O11S3 and a molecular weight of 1913.57 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;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;4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Nametert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine
PubChem CID167623973
Molecular FormulaC96H109Cl3F4N14O11S3
Molecular Weight1913.57 g/mol
Exact Mass1910.66
IUPAC Nametert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine
SMILESCCc1cc(-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
InChIInChI=1S/C35H41ClFN5O5S.C31H34ClFN4O3S.C23H18ClF2N3O3S.C7H16N2/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/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
InChIKeyMVEUGELCZDQDKL-UHFFFAOYSA-N
XLogP20.67
TPSA337.77 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.57
LogP ≤ 520.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine with MolForge

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Related Compounds

tert-butyl N-[4-[[6-[4-[(2-chlorophenyl)sulfonylamino]-5-fluoro-2-methoxyphenyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 142488930
6-bromo-8-ethyl-2-iodoquinazoline;tert-butyl N-[4-[(6-bromo-8-ethylquinazolin-2-yl)amino]cyclohexyl]-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;2-chlorobenzenethiol;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;4-ethylcyclohexan-1-amine;2-methoxy-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;dihydrate
CID 157068897
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 167623361
4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine
CID 147554341
6-[4-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxyphenyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 148674155
1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethyl-7-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 160902669
5-bromo-2-[(2-chlorophenyl)sulfonylmethyl]-3-fluoro-6-methoxypyridine;2-chloro-6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-fluoroquinazoline;(2-chloro-8-fluoroquinazolin-6-yl)boronic acid;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-fluoroquinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
CID 157297812
tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylamino]-2-methoxy-3-pyridinyl]-8-(trifluoromethyl)quinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate
CID 166740306
N-[4-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-2-fluoro-5-methoxyphenyl]-2-chlorobenzenesulfonamide
CID 137352592
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-(trifluoromethoxy)-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 137352102
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-3-fluoro-6-methoxypyridine;6-bromo-2-fluoro-8-methylquinazoline;6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-2-fluoro-8-methylquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-methylquinazolin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;2-fluoro-8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;dihydrate
CID 159504943
6-[6-[(2-chlorophenyl)sulfanylamino]-5-fluoro-2-methoxy-3-pyridinyl]-N-cyclohexyl-8-ethylquinazolin-2-amine;N-methylmethanamine
CID 142590509

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;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;4-N-methylcyclohexane-1,4-diamine?
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;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;4-N-methylcyclohexane-1,4-diamine (CID 167623973) is tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine.
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;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;4-N-methylcyclohexane-1,4-diamine?
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;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;4-N-methylcyclohexane-1,4-diamine is 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.
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;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;4-N-methylcyclohexane-1,4-diamine?
The InChIKey is MVEUGELCZDQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41ClFN5O5S.C31H34ClFN4O3S.C23H18ClF2N3O3S.C7H16N2/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/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.
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;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;4-N-methylcyclohexane-1,4-diamine?
tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;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;4-N-methylcyclohexane-1,4-diamine has a molecular weight of 1913.57 g/mol, XLogP of 20.67, 25 rotatable bonds, 4 hydrogen bond donors, and 24 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;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;4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 167623973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).