6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

C63H73Cl2F5N10O6S2 — CID 162128846

IUPAC6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
SMILESC.CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C(C)(F)F)c2nc(F)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C(C)(F)F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1
InChIInChI=1S/C31H34ClF2N5O3S.C23H17ClF3N3O3S.C8H18N2.CH4/c1-31(33,34)25-16-19(15-20-17-35-30(38-28(20)25)37-21-9-12-23(13-10-21)39(2)3)24-14-11-22(36-29(24)42-4)18-43(40,41)27-8-6-5-7-26(27)32;1-23(26,27)17-10-13(9-14-11-28-22(25)30-20(14)17)16-8-7-15(29-21(16)33-2)12-34(31,32)19-6-4-3-5-18(19)24;1-10(2)8-5-3-7(9)4-6-8;/h5-8,11,14-17,21,23H,9-10,12-13,18H2,1-4H3,(H,35,37,38);3-11H,12H2,1-2H3;7-8H,3-6,9H2,1-2H3;1H4
InChIKeyZIJZWNBRAKCNCK-UHFFFAOYSA-N
MW1296.37 g/mol
LogP13.76
Rot. Bonds16

About 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane

6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (PubChem CID 162128846) has the molecular formula C63H73Cl2F5N10O6S2 and a molecular weight of 1296.37 g/mol. Its IUPAC name is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.

Molecular Properties

Compound Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
PubChem CID162128846
Molecular FormulaC63H73Cl2F5N10O6S2
Molecular Weight1296.37 g/mol
Exact Mass1294.45
IUPAC Name6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane
SMILESC.CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C(C)(F)F)c2nc(F)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C(C)(F)F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1
InChIInChI=1S/C31H34ClF2N5O3S.C23H17ClF3N3O3S.C8H18N2.CH4/c1-31(33,34)25-16-19(15-20-17-35-30(38-28(20)25)37-21-9-12-23(13-10-21)39(2)3)24-14-11-22(36-29(24)42-4)18-43(40,41)27-8-6-5-7-26(27)32;1-23(26,27)17-10-13(9-14-11-28-22(25)30-20(14)17)16-8-7-15(29-21(16)33-2)12-34(31,32)19-6-4-3-5-18(19)24;1-10(2)8-5-3-7(9)4-6-8;/h5-8,11,14-17,21,23H,9-10,12-13,18H2,1-4H3,(H,35,37,38);3-11H,12H2,1-2H3;7-8H,3-6,9H2,1-2H3;1H4
InChIKeyZIJZWNBRAKCNCK-UHFFFAOYSA-N
XLogP13.76
TPSA208.61 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.37
LogP ≤ 513.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane with MolForge

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Related Compounds

US11840523, Lbc-00004 05
CID 137351762
5-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino) quinazolin-6-yl)-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 169156222
N-(3-(2-(((1R,4R)-4-aminocyclohexyl) amino)quinazolin-6-yl)-2,4-difluorophenyl)-5-chloro-2-methoxypyridine-3-sulfonamide
CID 169156229
5-chloro-N-(2,4-difluoro-3-(2-(((1R,4R)-4-(methylamino)cyclo-hexyl)amino)quina-zolin-6-yl)phenyl)-2-methoxypyridine-3-sulfonamide
CID 169156260
5-chloro-N-(3-(2-((1,1-dioxidotetrahydro-thiophen-3-yl)amino)quinazo-lin-6-yl)-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 177753052
5-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino)-8-ethylquinazolin-6-yl)-2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 177753086
6-[5-[(2,4-Difluorophenyl)sulfinylmethyl]-6-methoxy-3-pyridinyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)quinolin-2-amine
CID 123594542
[4-[[6-[6-[(2-Chlorophenyl)sulfonylamino]-2-methoxy-3-pyridinyl]-8-(trifluoromethyl)quinazolin-2-yl]amino]cyclohexyl]carbamic acid
CID 137351755
N-[5-[2-[(4-aminocyclohexyl)amino]-8-(1,1-difluoroethyl)quinazolin-6-yl]-6-methoxypyridin-2-yl]-2-chlorobenzenesulfonamide
CID 137351779
2-chloro-N-[5-[2-[[4-(dimethylamino)-4-methylcyclohexyl]amino]-8-ethylquinazolin-6-yl]-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide
CID 137351924
N-[5-[2-[(4-aminocyclohexyl)amino]-8-(trifluoromethyl)quinazolin-6-yl]-6-methoxypyridin-2-yl]-2-chlorobenzenesulfonamide
CID 137351927
2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide
CID 137351965

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The IUPAC name of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane (CID 162128846) is 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane.
What is the SMILES notation for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The canonical SMILES for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is C.CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C(C)(F)F)c2nc(F)ncc2c1.COc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(C(C)(F)F)c2nc(NC3CCC(N(C)C)CC3)ncc2c1.
What is the InChIKey of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
The InChIKey is ZIJZWNBRAKCNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClF2N5O3S.C23H17ClF3N3O3S.C8H18N2.CH4/c1-31(33,34)25-16-19(15-20-17-35-30(38-28(20)25)37-21-9-12-23(13-10-21)39(2)3)24-14-11-22(36-29(24)42-4)18-43(40,41)27-8-6-5-7-26(27)32;1-23(26,27)17-10-13(9-14-11-28-22(25)30-20(14)17)16-8-7-15(29-21(16)33-2)12-34(31,32)19-6-4-3-5-18(19)24;1-10(2)8-5-3-7(9)4-6-8;/h5-8,11,14-17,21,23H,9-10,12-13,18H2,1-4H3,(H,35,37,38);3-11H,12H2,1-2H3;7-8H,3-6,9H2,1-2H3;1H4.
What are the key properties of 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane?
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane has a molecular weight of 1296.37 g/mol, XLogP of 13.76, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)-2-fluoroquinazoline;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-(1,1-difluoroethyl)quinazolin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;methane is sourced from PubChem (CID 162128846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).