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

C66H81BrN14O6Sn — CID 159970257

IUPAC3-[[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
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.Cn1cnc(-c2ccc3nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc(OCC4CCOC4)c3c2)c1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C27H27N7O3.C23H22BrN5O3.C4H5N2.3C4H9.Sn/c1-32-12-22(29-16-32)18-2-5-21-20(10-18)26(37-15-17-7-9-36-14-17)31-25(30-21)13-33-24-11-28-8-6-23(24)34(27(33)35)19-3-4-19;24-15-1-4-18-17(9-15)22(32-13-14-6-8-31-12-14)27-21(26-18)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16;1-6-3-2-5-4-6;3*1-3-4-2;/h2,5-6,8,10-12,16-17,19H,3-4,7,9,13-15H2,1H3;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2;3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyOELKWKYKDVYMDH-UHFFFAOYSA-N
MW1365.08 g/mol
LogP11.52
Rot. Bonds23

About 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

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 (PubChem CID 159970257) has the molecular formula C66H81BrN14O6Sn and a molecular weight of 1365.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID159970257
Molecular FormulaC66H81BrN14O6Sn
Molecular Weight1365.08 g/mol
Exact Mass1364.47
IUPAC Name3-[[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
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.Cn1cnc(-c2ccc3nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc(OCC4CCOC4)c3c2)c1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1
InChIInChI=1S/C27H27N7O3.C23H22BrN5O3.C4H5N2.3C4H9.Sn/c1-32-12-22(29-16-32)18-2-5-21-20(10-18)26(37-15-17-7-9-36-14-17)31-25(30-21)13-33-24-11-28-8-6-23(24)34(27(33)35)19-3-4-19;24-15-1-4-18-17(9-15)22(32-13-14-6-8-31-12-14)27-21(26-18)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16;1-6-3-2-5-4-6;3*1-3-4-2;/h2,5-6,8,10-12,16-17,19H,3-4,7,9,13-15H2,1H3;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2;3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyOELKWKYKDVYMDH-UHFFFAOYSA-N
XLogP11.52
TPSA203.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.08
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

6-bromo-2-(4-iodophenyl)-4-methoxyquinazoline;(2S)-2-[5-[4-[4-methoxy-6-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinazolin-2-yl]phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 87178046
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058548
3-[[6-Bromo-4-(pyridin-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 118058613
1-Cyclopropyl-3-[[6-(1-methylimidazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058648
1-Cyclopropyl-3-[[4-(oxolan-3-ylmethoxy)-6-pyrazin-2-ylquinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 118058725
1-Cyclopropyl-3-[[4-(2-methylpropoxy)-6-[2-[2-oxo-3-[(4-propan-2-yloxyquinazolin-2-yl)methyl]imidazo[4,5-c]pyridin-1-yl]cyclopropyl]quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 130235023
3-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 157060603
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-(1,3-thiazol-5-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-5-yl)stannane
CID 157122007
3-[[8-Chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[8-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 157401966
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-4-(oxolan-3-ylmethoxy)quinazoline-6-carbonitrile
CID 157402532
3-[[7-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[7-(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 157473955
3-[[6-Bromo-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[6-methyl-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 158011667

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.Cn1cnc(-c2ccc3nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc(OCC4CCOC4)c3c2)c1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1.
What is the InChIKey of 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?
The InChIKey is OELKWKYKDVYMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3.C23H22BrN5O3.C4H5N2.3C4H9.Sn/c1-32-12-22(29-16-32)18-2-5-21-20(10-18)26(37-15-17-7-9-36-14-17)31-25(30-21)13-33-24-11-28-8-6-23(24)34(27(33)35)19-3-4-19;24-15-1-4-18-17(9-15)22(32-13-14-6-8-31-12-14)27-21(26-18)11-28-20-10-25-7-5-19(20)29(23(28)30)16-2-3-16;1-6-3-2-5-4-6;3*1-3-4-2;/h2,5-6,8,10-12,16-17,19H,3-4,7,9,13-15H2,1H3;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2;3-4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 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?
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 has a molecular weight of 1365.08 g/mol, XLogP of 11.52, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159970257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).