6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane

C86H112Cl2F13N11O4S2 — CID 159953405

IUPAC6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane
SMILESCC1CCC(N(C)CC(F)(F)F)CC1.CCC(F)(F)F.CCC1CCC(C)CC1.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)CC(F)(F)F)CC3)nc12.CN(CC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C32H35ClF3N5O2S.C23H19ClFN3O2S.C10H18F3N.C9H17F3N2.C9H18.C3H5F3/c1-4-21-15-22(27-14-11-25(38-20(27)2)18-44(42,43)29-8-6-5-7-28(29)33)16-23-17-37-31(40-30(21)23)39-24-9-12-26(13-10-24)41(3)19-32(34,35)36;1-3-15-10-16(11-17-12-26-23(25)28-22(15)17)19-9-8-18(27-14(19)2)13-31(29,30)21-7-5-4-6-20(21)24;1-8-3-5-9(6-4-8)14(2)7-10(11,12)13;1-14(6-9(10,11)12)8-4-2-7(13)3-5-8;1-3-9-6-4-8(2)5-7-9;1-2-3(4,5)6/h5-8,11,14-17,24,26H,4,9-10,12-13,18-19H2,1-3H3,(H,37,39,40);4-12H,3,13H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,2-6,13H2,1H3;8-9H,3-7H2,1-2H3;2H2,1H3
InChIKeyOCKGAXSWMGZLDZ-UHFFFAOYSA-N
MW1745.93 g/mol
LogP22.73
Rot. Bonds19

About 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane

6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane (PubChem CID 159953405) has the molecular formula C86H112Cl2F13N11O4S2 and a molecular weight of 1745.93 g/mol. Its IUPAC name is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane.

Molecular Properties

Compound Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane
PubChem CID159953405
Molecular FormulaC86H112Cl2F13N11O4S2
Molecular Weight1745.93 g/mol
Exact Mass1743.75
IUPAC Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane
SMILESCC1CCC(N(C)CC(F)(F)F)CC1.CCC(F)(F)F.CCC1CCC(C)CC1.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)CC(F)(F)F)CC3)nc12.CN(CC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C32H35ClF3N5O2S.C23H19ClFN3O2S.C10H18F3N.C9H17F3N2.C9H18.C3H5F3/c1-4-21-15-22(27-14-11-25(38-20(27)2)18-44(42,43)29-8-6-5-7-28(29)33)16-23-17-37-31(40-30(21)23)39-24-9-12-26(13-10-24)41(3)19-32(34,35)36;1-3-15-10-16(11-17-12-26-23(25)28-22(15)17)19-9-8-18(27-14(19)2)13-31(29,30)21-7-5-4-6-20(21)24;1-8-3-5-9(6-4-8)14(2)7-10(11,12)13;1-14(6-9(10,11)12)8-4-2-7(13)3-5-8;1-3-9-6-4-8(2)5-7-9;1-2-3(4,5)6/h5-8,11,14-17,24,26H,4,9-10,12-13,18-19H2,1-3H3,(H,37,39,40);4-12H,3,13H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,2-6,13H2,1H3;8-9H,3-7H2,1-2H3;2H2,1H3
InChIKeyOCKGAXSWMGZLDZ-UHFFFAOYSA-N
XLogP22.73
TPSA193.39 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001745.93
LogP ≤ 522.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane with MolForge

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Related Compounds

3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]quinolin-4-amine
CID 126531397
2-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino) quinazolin-6-yl)-2,4-difluorophenyl)ben-zenesulfonamide
CID 176863729
5-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino) quinazolin-6-yl)-2,4-difluorophenyl)-2-methylpyridine-3-sulfonamide
CID 177753021
2-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino)-8-ethylquinazolin-6-yl)-2,4-difluorophenyl)ben-zenesulfonamide
CID 177753087
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 67118742
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethyl)benzenesulfonamide
CID 67118743
3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[1-(2-fluorophenyl)ethyl]-2-methylquinolin-4-amine
CID 126531280
3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine
CID 126531399
N-[4-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-3,5-difluorophenyl]-2-chlorobenzenesulfonamide
CID 137351390
N-[4-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-2,5-difluorophenyl]-2-chlorobenzenesulfonamide
CID 137351397
2-chloro-N-[4-[8-ethyl-2-[(4-pyrrolidin-1-ylcyclohexyl)amino]quinazolin-6-yl]-2-fluorophenyl]benzenesulfonamide
CID 137351815
N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-3-fluoro-2-pyridinyl]-2-chlorobenzenesulfonamide
CID 137351820

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane?
The IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane (CID 159953405) is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane.
What is the SMILES notation for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane?
The canonical SMILES for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane is CC1CCC(N(C)CC(F)(F)F)CC1.CCC(F)(F)F.CCC1CCC(C)CC1.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)CC(F)(F)F)CC3)nc12.CN(CC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane?
The InChIKey is OCKGAXSWMGZLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClF3N5O2S.C23H19ClFN3O2S.C10H18F3N.C9H17F3N2.C9H18.C3H5F3/c1-4-21-15-22(27-14-11-25(38-20(27)2)18-44(42,43)29-8-6-5-7-28(29)33)16-23-17-37-31(40-30(21)23)39-24-9-12-26(13-10-24)41(3)19-32(34,35)36;1-3-15-10-16(11-17-12-26-23(25)28-22(15)17)19-9-8-18(27-14(19)2)13-31(29,30)21-7-5-4-6-20(21)24;1-8-3-5-9(6-4-8)14(2)7-10(11,12)13;1-14(6-9(10,11)12)8-4-2-7(13)3-5-8;1-3-9-6-4-8(2)5-7-9;1-2-3(4,5)6/h5-8,11,14-17,24,26H,4,9-10,12-13,18-19H2,1-3H3,(H,37,39,40);4-12H,3,13H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,2-6,13H2,1H3;8-9H,3-7H2,1-2H3;2H2,1H3.
What are the key properties of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane?
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane has a molecular weight of 1745.93 g/mol, XLogP of 22.73, 19 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;1-ethyl-4-methylcyclohexane;4-N-methyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine;1,1,1-trifluoropropane is sourced from PubChem (CID 159953405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).