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-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane

C64H75BrN12O6S2Sn — CID 158024752

About 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-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane (PubChem CID 158024752) has the molecular formula C64H75BrN12O6S2Sn and a molecular weight of 1371.13 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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane.

Molecular Properties

• Compound Name: 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-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane
• PubChem CID: 158024752
• Molecular Formula: C64H75BrN12O6S2Sn
• Molecular Weight: 1371.13 g/mol
• Exact Mass: 1370.36
• IUPAC Name: 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-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cscn1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cscn4)ccc3n2)c2cnccc2n1C1CC1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(Br)ccc3n2)c2cnccc2n1C1CC1
• InChI: InChI=1S/C26H24N6O3S.C23H22BrN5O3.3C4H9.C3H2NS.Sn/c33-26-31(23-10-27-7-5-22(23)32(26)18-2-3-18)11-24-29-20-4-1-17(21-14-36-15-28-21)9-19(20)25(30-24)35-13-16-6-8-34-12-16;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;3*1-3-4-2;1-2-5-3-4-1;/h1,4-5,7,9-10,14-16,18H,2-3,6,8,11-13H2;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2;3*1,3-4H2,2H3;2-3H
• InChIKey: FGLVYHDLWBUDGT-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 193.90 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.13
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane (CID 158024752) is 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-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cscn1.O=c1n(Cc2nc(OCC3CCOC3)c3cc(-c4cscn4)ccc3n2)c2cnccc2n1C1CC1.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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane?

The InChIKey is FGLVYHDLWBUDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3S.C23H22BrN5O3.3C4H9.C3H2NS.Sn/c33-26-31(23-10-27-7-5-22(23)32(26)18-2-3-18)11-24-29-20-4-1-17(21-14-36-15-28-21)9-19(20)25(30-24)35-13-16-6-8-34-12-16;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;3*1-3-4-2;1-2-5-3-4-1;/h1,4-5,7,9-10,14-16,18H,2-3,6,8,11-13H2;1,4-5,7,9-10,14,16H,2-3,6,8,11-13H2;3*1,3-4H2,2H3;2-3H;.

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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane has a molecular weight of 1371.13 g/mol, XLogP of 12.96, 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-[[4-(oxolan-3-ylmethoxy)-6-(1,3-thiazol-4-yl)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;tributyl(1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 158024752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).