bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

C109H134ClF4N27O12S6 — CID 159056504

IUPACbis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCC(C)N(CC1CCCN(c2ncnc3ccc(F)cc23)C1)S(=O)(=O)c1ccccc1.CC(C)N(CC1CCCN(c2ncnc3ccccc23)C1)S(C)(=O)=O.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(-c4ccccn4)cc23)C1.Cc1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F.Cl.[C-]#[N+]c1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F
InChIInChI=1S/C23H27FN4O2S.C20H23N5O2S.C18H26N4O2S.2C16H18FN5O2S.C16H21FN4O2S.ClH/c1-17(2)28(31(29,30)20-8-4-3-5-9-20)15-18-7-6-12-27(14-18)23-21-13-19(24)10-11-22(21)25-16-26-23;1-28(26,27)24-12-15-5-4-10-25(13-15)20-17-11-16(18-6-2-3-9-21-18)7-8-19(17)22-14-23-20;1-14(2)22(25(3,23)24)12-15-7-6-10-21(11-15)18-16-8-4-5-9-17(16)19-13-20-18;2*1-18-15-6-12-14(7-13(15)17)19-10-20-16(12)22-5-3-4-11(9-22)8-21-25(2,23)24;1-11-6-13-15(7-14(11)17)18-10-19-16(13)21-5-3-4-12(9-21)8-20-24(2,22)23;/h3-5,8-11,13,16-18H,6-7,12,14-15H2,1-2H3;2-3,6-9,11,14-15,24H,4-5,10,12-13H2,1H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;2*6-7,10-11,21H,3-5,8-9H2,2H3;6-7,10,12,20H,3-5,8-9H2,1-2H3;1H
InChIKeyRLQJJSAMSIVURO-UHFFFAOYSA-N
MW2318.29 g/mol
LogP15.49
Rot. Bonds28

About bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride

bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 159056504) has the molecular formula C109H134ClF4N27O12S6 and a molecular weight of 2318.29 g/mol. Its IUPAC name is bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Namebis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID159056504
Molecular FormulaC109H134ClF4N27O12S6
Molecular Weight2318.29 g/mol
Exact Mass2315.87
IUPAC Namebis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
SMILESCC(C)N(CC1CCCN(c2ncnc3ccc(F)cc23)C1)S(=O)(=O)c1ccccc1.CC(C)N(CC1CCCN(c2ncnc3ccccc23)C1)S(C)(=O)=O.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(-c4ccccn4)cc23)C1.Cc1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F.Cl.[C-]#[N+]c1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F
InChIInChI=1S/C23H27FN4O2S.C20H23N5O2S.C18H26N4O2S.2C16H18FN5O2S.C16H21FN4O2S.ClH/c1-17(2)28(31(29,30)20-8-4-3-5-9-20)15-18-7-6-12-27(14-18)23-21-13-19(24)10-11-22(21)25-16-26-23;1-28(26,27)24-12-15-5-4-10-25(13-15)20-17-11-16(18-6-2-3-9-21-18)7-8-19(17)22-14-23-20;1-14(2)22(25(3,23)24)12-15-7-6-10-21(11-15)18-16-8-4-5-9-17(16)19-13-20-18;2*1-18-15-6-12-14(7-13(15)17)19-10-20-16(12)22-5-3-4-11(9-22)8-21-25(2,23)24;1-11-6-13-15(7-14(11)17)18-10-19-16(13)21-5-3-4-12(9-21)8-20-24(2,22)23;/h3-5,8-11,13,16-18H,6-7,12,14-15H2,1-2H3;2-3,6-9,11,14-15,24H,4-5,10,12-13H2,1H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;2*6-7,10-11,21H,3-5,8-9H2,2H3;6-7,10,12,20H,3-5,8-9H2,1-2H3;1H
InChIKeyRLQJJSAMSIVURO-UHFFFAOYSA-N
XLogP15.49
TPSA455.17 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002318.29
LogP ≤ 515.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

7,18-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,15,21,25-tetrakis(1-methylpyridin-1-ium-3-yl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),6,8,10,12,14,16,18,20,23-tridecaene;tetrakis(trifluoromethanesulfonate)
CID 139184535
N-[5-[4-[4-(dimethylamino)piperidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57545824
2,4-difluoro-N-[5-(4-piperidin-1-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 57545842
N-[5-[4-[4-[(dimethylamino)methyl]piperidin-1-yl]quinazolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57545894
N-[[4-[[[4-[methyl(2-pyridin-2-ylethyl)amino]quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 57717173
4-(4-fluorophenyl)-N-[4-[4-[methyl(quinolin-8-ylmethyl)amino]piperidin-1-yl]sulfonylphenyl]pyrimidin-2-amine
CID 59242850
4-N-(4-fluorophenyl)-2-N-[4-[4-(quinolin-8-ylmethylamino)piperidin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine
CID 59274823
4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-methyl-N-[4-(quinolin-5-ylmethylamino)cyclohexyl]benzenesulfonamide
CID 59828403
4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-methyl-N-[1-(quinolin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 59828450
4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-methyl-N-[4-(quinolin-6-ylmethylamino)cyclohexyl]benzenesulfonamide
CID 59828455
2,4-difluoro-N-[5-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 68519706
4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-methyl-N-[4-(quinolin-6-ylmethylamino)cyclohexyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 69226176

Frequently Asked Questions

What is the IUPAC name of bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride (CID 159056504) is bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is CC(C)N(CC1CCCN(c2ncnc3ccc(F)cc23)C1)S(=O)(=O)c1ccccc1.CC(C)N(CC1CCCN(c2ncnc3ccccc23)C1)S(C)(=O)=O.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(-c4ccccn4)cc23)C1.Cc1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F.Cl.[C-]#[N+]c1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F.[C-]#[N+]c1cc2c(N3CCCC(CNS(C)(=O)=O)C3)ncnc2cc1F.
What is the InChIKey of bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is RLQJJSAMSIVURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S.C20H23N5O2S.C18H26N4O2S.2C16H18FN5O2S.C16H21FN4O2S.ClH/c1-17(2)28(31(29,30)20-8-4-3-5-9-20)15-18-7-6-12-27(14-18)23-21-13-19(24)10-11-22(21)25-16-26-23;1-28(26,27)24-12-15-5-4-10-25(13-15)20-17-11-16(18-6-2-3-9-21-18)7-8-19(17)22-14-23-20;1-14(2)22(25(3,23)24)12-15-7-6-10-21(11-15)18-16-8-4-5-9-17(16)19-13-20-18;2*1-18-15-6-12-14(7-13(15)17)19-10-20-16(12)22-5-3-4-11(9-22)8-21-25(2,23)24;1-11-6-13-15(7-14(11)17)18-10-19-16(13)21-5-3-4-12(9-21)8-20-24(2,22)23;/h3-5,8-11,13,16-18H,6-7,12,14-15H2,1-2H3;2-3,6-9,11,14-15,24H,4-5,10,12-13H2,1H3;4-5,8-9,13-15H,6-7,10-12H2,1-3H3;2*6-7,10-11,21H,3-5,8-9H2,2H3;6-7,10,12,20H,3-5,8-9H2,1-2H3;1H.
What are the key properties of bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride?
bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 2318.29 g/mol, XLogP of 15.49, 28 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[[1-(7-fluoro-6-isocyanoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide);N-[[1-(7-fluoro-6-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylbenzenesulfonamide;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 159056504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).