N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane

C53H77BrN10O4S2Sn — CID 159548930

IUPACN-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane
SMILESC.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(-c4ccccn4)cc23)C1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C20H23N5O2S.C15H19BrN4O2S.C5H4N.3C4H9.CH4.Sn/c1-28(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;1-23(21,22)19-8-11-3-2-6-20(9-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-3,6-9,11,14-15,24H,4-5,10,12-13H2,1H3;4-5,7,10-11,19H,2-3,6,8-9H2,1H3;1-4H;3*1,3-4H2,2H3;1H4;
InChIKeyMFDMUMCGAJRUQC-UHFFFAOYSA-N
MW1181.01 g/mol
LogP10.39
Rot. Bonds19

About N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane

N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane (PubChem CID 159548930) has the molecular formula C53H77BrN10O4S2Sn and a molecular weight of 1181.01 g/mol. Its IUPAC name is N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane.

Molecular Properties

Compound NameN-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane
PubChem CID159548930
Molecular FormulaC53H77BrN10O4S2Sn
Molecular Weight1181.01 g/mol
Exact Mass1180.38
IUPAC NameN-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane
SMILESC.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(-c4ccccn4)cc23)C1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(Br)cc23)C1
InChIInChI=1S/C20H23N5O2S.C15H19BrN4O2S.C5H4N.3C4H9.CH4.Sn/c1-28(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;1-23(21,22)19-8-11-3-2-6-20(9-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-3,6-9,11,14-15,24H,4-5,10,12-13H2,1H3;4-5,7,10-11,19H,2-3,6,8-9H2,1H3;1-4H;3*1,3-4H2,2H3;1H4;
InChIKeyMFDMUMCGAJRUQC-UHFFFAOYSA-N
XLogP10.39
TPSA176.16 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.01
LogP ≤ 510.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane with MolForge

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Related Compounds

N-[[1-[6-(3-fluoro-4-pyridinyl)-8-methylquinazolin-4-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 117602957
5-bromo-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;5-methyl-2-[4-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 157945944
5-bromo-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile;5-cyclopropyl-2-[4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]benzonitrile
CID 161824671
N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 54391643
6-Bromoquinazolin-2-amine;6-pyridin-4-ylquinazolin-2-amine
CID 69324601
N-[[1-(8-methyl-6-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 117603709
N-[[1-(6-bromo-8-methylquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 117603826
N-[[1-(8-methyl-6-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 117603915
N-[[1-[8-methyl-6-(2-methyl-4-pyridinyl)quinazolin-4-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 117604009
N-[5-[4-[(5-bromo-3-pyridinyl)amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 121416163
N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide
CID 121416216
N-[5-[4-(3-bromoanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 121427563

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane?
The IUPAC name of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane (CID 159548930) is N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane.
What is the SMILES notation for N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane?
The canonical SMILES for N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane is C.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(-c4ccccn4)cc23)C1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(Br)cc23)C1.
What is the InChIKey of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane?
The InChIKey is MFDMUMCGAJRUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S.C15H19BrN4O2S.C5H4N.3C4H9.CH4.Sn/c1-28(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;1-23(21,22)19-8-11-3-2-6-20(9-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-2-4-6-5-3-1;3*1-3-4-2;;/h2-3,6-9,11,14-15,24H,4-5,10,12-13H2,1H3;4-5,7,10-11,19H,2-3,6,8-9H2,1H3;1-4H;3*1,3-4H2,2H3;1H4;.
What are the key properties of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane?
N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane has a molecular weight of 1181.01 g/mol, XLogP of 10.39, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;N-[[1-(6-pyridin-2-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 159548930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).