2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one

C106H91N15O10 — CID 159893064

About 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one

2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one (PubChem CID 159893064) has the molecular formula C106H91N15O10 and a molecular weight of 1734.99 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one.

Molecular Properties

• Compound Name: 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
• PubChem CID: 159893064
• Molecular Formula: C106H91N15O10
• Molecular Weight: 1734.99 g/mol
• Exact Mass: 1733.71
• IUPAC Name: 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one
• SMILES: C#CCOc1ccc(/C=C/c2nc3ncccc3c(=O)o2)cc1C.Cc1ccc(/C=C/c2nc3ccncc3c(=O)o2)cc1C.Cc1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ncccc3c(=O)[nH]2)cc1C.Cc1ccc(C2CC2c2nc3ccncc3c(=O)[nH]2)cc1C.Cc1ccc(C2CC2c2nc3cnccc3c(=O)o2)cc1C
• InChI: InChI=1S/C19H14N2O3.C18H17N3O.C18H16N2O2.2C17H15N3O.C17H14N2O2/c1-3-11-23-16-8-6-14(12-13(16)2)7-9-17-21-18-15(19(22)24-17)5-4-10-20-18;1-10-3-4-12(7-11(10)2)13-8-14(13)17-20-16-5-6-19-9-15(16)18(22)21-17;1-10-3-4-12(7-11(10)2)14-8-15(14)17-20-16-9-19-6-5-13(16)18(21)22-17;1-11-3-4-13(9-12(11)2)5-6-16-19-15-10-18-8-7-14(15)17(21)20-16;1-11-5-6-13(10-12(11)2)7-8-15-19-16-14(17(21)20-15)4-3-9-18-16;1-11-3-4-13(9-12(11)2)5-6-16-19-15-7-8-18-10-14(15)17(20)21-16/h1,4-10,12H,11H2,2H3;3-7,9,13-14H,8H2,1-2H3,(H,20,21,22);3-7,9,14-15H,8H2,1-2H3;3-10H,1-2H3,(H,19,20,21);3-10H,1-2H3,(H,18,19,20,21);3-10H,1-2H3/b9-7+;;;6-5+;8-7+;6-5+
• InChIKey: NUZRSKWLYRQZKG-CUNDNWPGSA-N
• XLogP: 19.33
• TPSA: 353.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1734.99
LogP ≤ 5	19.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?

The IUPAC name of 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one (CID 159893064) is 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one.

What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?

The canonical SMILES for 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one is C#CCOc1ccc(/C=C/c2nc3ncccc3c(=O)o2)cc1C.Cc1ccc(/C=C/c2nc3ccncc3c(=O)o2)cc1C.Cc1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)cc1C.Cc1ccc(/C=C/c2nc3ncccc3c(=O)[nH]2)cc1C.Cc1ccc(C2CC2c2nc3ccncc3c(=O)[nH]2)cc1C.Cc1ccc(C2CC2c2nc3cnccc3c(=O)o2)cc1C.

What is the InChIKey of 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?

The InChIKey is NUZRSKWLYRQZKG-CUNDNWPGSA-N. The full InChI is InChI=1S/C19H14N2O3.C18H17N3O.C18H16N2O2.2C17H15N3O.C17H14N2O2/c1-3-11-23-16-8-6-14(12-13(16)2)7-9-17-21-18-15(19(22)24-17)5-4-10-20-18;1-10-3-4-12(7-11(10)2)13-8-14(13)17-20-16-5-6-19-9-15(16)18(22)21-17;1-10-3-4-12(7-11(10)2)14-8-15(14)17-20-16-9-19-6-5-13(16)18(21)22-17;1-11-3-4-13(9-12(11)2)5-6-16-19-15-10-18-8-7-14(15)17(21)20-16;1-11-5-6-13(10-12(11)2)7-8-15-19-16-14(17(21)20-15)4-3-9-18-16;1-11-3-4-13(9-12(11)2)5-6-16-19-15-7-8-18-10-14(15)17(20)21-16/h1,4-10,12H,11H2,2H3;3-7,9,13-14H,8H2,1-2H3,(H,20,21,22);3-7,9,14-15H,8H2,1-2H3;3-10H,1-2H3,(H,19,20,21);3-10H,1-2H3,(H,18,19,20,21);3-10H,1-2H3/b9-7+;;;6-5+;8-7+;6-5+.

What are the key properties of 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one?

2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one has a molecular weight of 1734.99 g/mol, XLogP of 19.33, 14 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-dimethylphenyl)cyclopropyl]pyrido[3,4-d][1,3]oxazin-4-one;2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-pyrido[4,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]pyrido[4,3-d][1,3]oxazin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one;2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one;2-[(E)-2-(3-methyl-4-prop-2-ynoxyphenyl)ethenyl]pyrido[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 159893064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).