3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione

C74H64N4O9 — CID 159832020

About 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione

3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione (PubChem CID 159832020) has the molecular formula C74H64N4O9 and a molecular weight of 1153.34 g/mol. Its IUPAC name is 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione.

Molecular Properties

• Compound Name: 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione
• PubChem CID: 159832020
• Molecular Formula: C74H64N4O9
• Molecular Weight: 1153.34 g/mol
• Exact Mass: 1152.47
• IUPAC Name: 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione
• SMILES: CC1=C(Cc2ccc(C)cc2)C(=O)c2cccnc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2ncc(C)cc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2ncccc2C1=O.COc1cc(C)cc(CC2=C(C)C(=O)c3cccnc3C2=O)c1
• InChI: InChI=1S/C19H17NO3.C19H17NO2.2C18H15NO2/c1-11-7-13(9-14(8-11)23-3)10-16-12(2)18(21)15-5-4-6-20-17(15)19(16)22;1-11-4-6-14(7-5-11)9-15-13(3)18(21)16-8-12(2)10-20-17(16)19(15)22;1-11-5-7-13(8-6-11)10-15-12(2)17(20)16-14(18(15)21)4-3-9-19-16;1-11-5-7-13(8-6-11)10-15-12(2)17(20)14-4-3-9-19-16(14)18(15)21/h4-9H,10H2,1-3H3;4-8,10H,9H2,1-3H3;2*3-9H,10H2,1-2H3
• InChIKey: NNOPWVLERRGZOX-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 197.35 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1153.34
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione?

The IUPAC name of 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione (CID 159832020) is 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione.

What is the SMILES notation for 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione?

The canonical SMILES for 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione is CC1=C(Cc2ccc(C)cc2)C(=O)c2cccnc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2ncc(C)cc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2ncccc2C1=O.COc1cc(C)cc(CC2=C(C)C(=O)c3cccnc3C2=O)c1.

What is the InChIKey of 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione?

The InChIKey is NNOPWVLERRGZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3.C19H17NO2.2C18H15NO2/c1-11-7-13(9-14(8-11)23-3)10-16-12(2)18(21)15-5-4-6-20-17(15)19(16)22;1-11-4-6-14(7-5-11)9-15-13(3)18(21)16-8-12(2)10-20-17(16)19(15)22;1-11-5-7-13(8-6-11)10-15-12(2)17(20)16-14(18(15)21)4-3-9-19-16;1-11-5-7-13(8-6-11)10-15-12(2)17(20)14-4-3-9-19-16(14)18(15)21/h4-9H,10H2,1-3H3;4-8,10H,9H2,1-3H3;2*3-9H,10H2,1-2H3.

What are the key properties of 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione?

3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione has a molecular weight of 1153.34 g/mol, XLogP of 13.63, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-[(3-methoxy-5-methylphenyl)methyl]-6-methylquinoline-5,8-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione is sourced from PubChem (CID 159832020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).