4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane

C70H81BrN14O6Sn — CID 159351669

IUPAC4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(-c5cn(C)cn5)ccc4n3)c(=O)c3ccccc3n2n1.Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(Br)ccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C29H27N7O3.C25H22BrN5O3.C4H5N2.3C4H9.Sn/c1-18-11-27-35(29(37)21-5-3-4-6-25(21)36(27)33-18)14-26-31-23-8-7-20(24-13-34(2)17-30-24)12-22(23)28(32-26)39-16-19-9-10-38-15-19;1-15-10-23-30(25(32)18-4-2-3-5-21(18)31(23)29-15)12-22-27-20-7-6-17(26)11-19(20)24(28-22)34-14-16-8-9-33-13-16;1-6-3-2-5-4-6;3*1-3-4-2;/h3-8,11-13,17,19H,9-10,14-16H2,1-2H3;2-7,10-11,16H,8-9,12-14H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyLHKBWAMRLDBEAC-UHFFFAOYSA-N
MW1413.12 g/mol
LogP12.37
Rot. Bonds21

About 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane

4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane (PubChem CID 159351669) has the molecular formula C70H81BrN14O6Sn and a molecular weight of 1413.12 g/mol. Its IUPAC name is 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane.

Molecular Properties

Compound Name4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane
PubChem CID159351669
Molecular FormulaC70H81BrN14O6Sn
Molecular Weight1413.12 g/mol
Exact Mass1412.47
IUPAC Name4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(-c5cn(C)cn5)ccc4n3)c(=O)c3ccccc3n2n1.Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(Br)ccc4n3)c(=O)c3ccccc3n2n1
InChIInChI=1S/C29H27N7O3.C25H22BrN5O3.C4H5N2.3C4H9.Sn/c1-18-11-27-35(29(37)21-5-3-4-6-25(21)36(27)33-18)14-26-31-23-8-7-20(24-13-34(2)17-30-24)12-22(23)28(32-26)39-16-19-9-10-38-15-19;1-15-10-23-30(25(32)18-4-2-3-5-21(18)31(23)29-15)12-22-27-20-7-6-17(26)11-19(20)24(28-22)34-14-16-8-9-33-13-16;1-6-3-2-5-4-6;3*1-3-4-2;/h3-8,11-13,17,19H,9-10,14-16H2,1-2H3;2-7,10-11,16H,8-9,12-14H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyLHKBWAMRLDBEAC-UHFFFAOYSA-N
XLogP12.37
TPSA202.72 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001413.12
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane with MolForge

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Related Compounds

4-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one
CID 118058590
2-Methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 118058699
2-Methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 118058719
2-Methyl-4-[[6-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 130230385
4-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[4-(oxolan-3-ylmethoxy)-6-pyridin-3-ylquinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;pyridin-3-ylboronic acid
CID 157420476
6-bromo-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;bis(6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-imidazo[1,2-c]pyrimidin-7-yloxy-3-methylphenyl)quinazolin-4-amine);6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-1-morpholin-4-ylethanone
CID 159345843
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(pyrazin-2-yl)stannane
CID 159941483
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl-(1-methylimidazol-4-yl)stannane
CID 159970257
4-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160532734
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[6-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161032190
4-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one
CID 161557232
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[6-(1,2-oxazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
CID 161767155

Frequently Asked Questions

What is the IUPAC name of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane?
The IUPAC name of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane (CID 159351669) is 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane.
What is the SMILES notation for 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane?
The canonical SMILES for 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(-c5cn(C)cn5)ccc4n3)c(=O)c3ccccc3n2n1.Cc1cc2n(Cc3nc(OCC4CCOC4)c4cc(Br)ccc4n3)c(=O)c3ccccc3n2n1.
What is the InChIKey of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane?
The InChIKey is LHKBWAMRLDBEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O3.C25H22BrN5O3.C4H5N2.3C4H9.Sn/c1-18-11-27-35(29(37)21-5-3-4-6-25(21)36(27)33-18)14-26-31-23-8-7-20(24-13-34(2)17-30-24)12-22(23)28(32-26)39-16-19-9-10-38-15-19;1-15-10-23-30(25(32)18-4-2-3-5-21(18)31(23)29-15)12-22-27-20-7-6-17(26)11-19(20)24(28-22)34-14-16-8-9-33-13-16;1-6-3-2-5-4-6;3*1-3-4-2;/h3-8,11-13,17,19H,9-10,14-16H2,1-2H3;2-7,10-11,16H,8-9,12-14H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane?
4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane has a molecular weight of 1413.12 g/mol, XLogP of 12.37, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-one;2-methyl-4-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;tributyl-(1-methylimidazol-4-yl)stannane is sourced from PubChem (CID 159351669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).