8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)

C110H101N21O9 — CID 158194161

About 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)

8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one) (PubChem CID 158194161) has the molecular formula C110H101N21O9 and a molecular weight of 1861.16 g/mol. Its IUPAC name is 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one).

Molecular Properties

• Compound Name: 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)
• PubChem CID: 158194161
• Molecular Formula: C110H101N21O9
• Molecular Weight: 1861.16 g/mol
• Exact Mass: 1859.81
• IUPAC Name: 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)
• SMILES: CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-n4cnc(-c5ccccn5)c4)ccc3c(=O)n2C1
• InChI: InChI=1S/C22H21N5O.4C22H20N4O2/c1-22(2)9-8-20-25-18-11-15(6-7-16(18)21(28)27(20)13-22)26-12-19(24-14-26)17-5-3-4-10-23-17;2*1-22(2)9-8-20-24-18-11-14(6-7-15(18)21(27)26(20)13-22)17-12-19(28-25-17)16-5-3-4-10-23-16;2*1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16/h3-7,10-12,14H,8-9,13H2,1-2H3;4*3-7,10-12H,8-9,13H2,1-2H3
• InChIKey: GADDYNDQWIISLO-UHFFFAOYSA-N
• XLogP: 19.96
• TPSA: 360.84 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1861.16
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)?

The IUPAC name of 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one) (CID 158194161) is 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one).

What is the SMILES notation for 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)?

The canonical SMILES for 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one) is CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-n4cnc(-c5ccccn5)c4)ccc3c(=O)n2C1.

What is the InChIKey of 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)?

The InChIKey is GADDYNDQWIISLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O.4C22H20N4O2/c1-22(2)9-8-20-25-18-11-15(6-7-16(18)21(28)27(20)13-22)26-12-19(24-14-26)17-5-3-4-10-23-17;2*1-22(2)9-8-20-24-18-11-14(6-7-15(18)21(27)26(20)13-22)17-12-19(28-25-17)16-5-3-4-10-23-16;2*1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16/h3-7,10-12,14H,8-9,13H2,1-2H3;4*3-7,10-12H,8-9,13H2,1-2H3.

What are the key properties of 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one)?

8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one) has a molecular weight of 1861.16 g/mol, XLogP of 19.96, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one) is sourced from PubChem (CID 158194161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).