3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one

C67H56N8O6 — CID 158853985

About 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one

3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 158853985) has the molecular formula C67H56N8O6 and a molecular weight of 1069.23 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one
• PubChem CID: 158853985
• Molecular Formula: C67H56N8O6
• Molecular Weight: 1069.23 g/mol
• Exact Mass: 1068.43
• IUPAC Name: 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one
• SMILES: Cc1cccc(C)c1-n1c(/C=C/c2c[nH]cc(C)c2=O)nc2ccccc2c1=O.Cc1cccc(C)c1-n1c(/C=C/c2ccnc(C)c2O)nc2ccccc2c1=O.Cc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O
• InChI: InChI=1S/2C24H21N3O2.C19H14N2O2/c1-15-7-6-8-16(2)22(15)27-21(12-11-18-14-25-13-17(3)23(18)28)26-20-10-5-4-9-19(20)24(27)29;1-15-7-6-8-16(2)22(15)27-21(12-11-18-13-14-25-17(3)23(18)28)26-20-10-5-4-9-19(20)24(27)29;1-13-6-2-5-9-17(13)21-18(14-10-11-23-12-14)20-16-8-4-3-7-15(16)19(21)22/h4-14H,1-3H3,(H,25,28);4-14,28H,1-3H3;2-12H,1H3/b2*12-11+
• InChIKey: IZUQHLPBDCIAEK-WUVPNHNWSA-N
• XLogP: 12.71
• TPSA: 183.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.23
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one?

The IUPAC name of 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one (CID 158853985) is 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one.

What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one?

The canonical SMILES for 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one is Cc1cccc(C)c1-n1c(/C=C/c2c[nH]cc(C)c2=O)nc2ccccc2c1=O.Cc1cccc(C)c1-n1c(/C=C/c2ccnc(C)c2O)nc2ccccc2c1=O.Cc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O.

What is the InChIKey of 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one?

The InChIKey is IZUQHLPBDCIAEK-WUVPNHNWSA-N. The full InChI is InChI=1S/2C24H21N3O2.C19H14N2O2/c1-15-7-6-8-16(2)22(15)27-21(12-11-18-14-25-13-17(3)23(18)28)26-20-10-5-4-9-19(20)24(27)29;1-15-7-6-8-16(2)22(15)27-21(12-11-18-13-14-25-17(3)23(18)28)26-20-10-5-4-9-19(20)24(27)29;1-13-6-2-5-9-17(13)21-18(14-10-11-23-12-14)20-16-8-4-3-7-15(16)19(21)22/h4-14H,1-3H3,(H,25,28);4-14,28H,1-3H3;2-12H,1H3/b2*12-11+;.

What are the key properties of 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one?

3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 1069.23 g/mol, XLogP of 12.71, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-2-[(E)-2-(3-hydroxy-2-methyl-4-pyridinyl)ethenyl]quinazolin-4-one;3-(2,6-dimethylphenyl)-2-[(E)-2-(5-methyl-4-oxo-1H-pyridin-3-yl)ethenyl]quinazolin-4-one;2-(furan-3-yl)-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 158853985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).