6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione

C175H151FN4O26 — CID 158662764

About 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione

6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione (PubChem CID 158662764) has the molecular formula C175H151FN4O26 and a molecular weight of 2745.13 g/mol. Its IUPAC name is 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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: 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione
• PubChem CID: 158662764
• Molecular Formula: C175H151FN4O26
• Molecular Weight: 2745.13 g/mol
• Exact Mass: 2743.06
• IUPAC Name: 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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)c2cc(C)ccc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2cc(C)ccc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2cc(F)ccc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2cccnc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2ncccc2C1=O.COc1cc(C)cc(CC2=C(C)C(=O)c3ccccc3C2=O)c1.COc1cc(C)cc(CC2=C(C)C(=O)c3ncc(C)cc3C2=O)c1.COc1ccc(OC)c(C(=O)C2=C(C)C(=O)c3ccccc3C2=O)c1.COc1ccc(OC)c(C(=O)C2=C(C)C(=O)c3ncc(C)cc3C2=O)c1
• InChI: InChI=1S/C20H17NO5.C20H19NO3.C20H16O5.C20H18O3.2C20H18O2.C19H15FO2.2C18H15NO2/c1-10-7-14-17(21-9-10)18(22)11(2)16(20(14)24)19(23)13-8-12(25-3)5-6-15(13)26-4;1-11-5-14(8-15(6-11)24-4)9-16-13(3)19(22)18-17(20(16)23)7-12(2)10-21-18;1-11-17(19(22)14-7-5-4-6-13(14)18(11)21)20(23)15-10-12(24-2)8-9-16(15)25-3;1-12-8-14(10-15(9-12)23-3)11-18-13(2)19(21)16-6-4-5-7-17(16)20(18)22;2*1-12-4-7-15(8-5-12)11-17-14(3)19(21)16-9-6-13(2)10-18(16)20(17)22;1-11-3-5-13(6-4-11)9-16-12(2)18(21)15-8-7-14(20)10-17(15)19(16)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/h5-9H,1-4H3;5-8,10H,9H2,1-4H3;4-10H,1-3H3;4-10H,11H2,1-3H3;2*4-10H,11H2,1-3H3;3-8,10H,9H2,1-2H3;2*3-9H,10H2,1-2H3
• InChIKey: ICYRNGNLVOMVPR-UHFFFAOYSA-N
• XLogP: 33.07
• TPSA: 448.34 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2745.13
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione (CID 158662764) is 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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)c2cc(C)ccc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2cc(C)ccc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2cc(F)ccc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2cccnc2C1=O.CC1=C(Cc2ccc(C)cc2)C(=O)c2ncccc2C1=O.COc1cc(C)cc(CC2=C(C)C(=O)c3ccccc3C2=O)c1.COc1cc(C)cc(CC2=C(C)C(=O)c3ncc(C)cc3C2=O)c1.COc1ccc(OC)c(C(=O)C2=C(C)C(=O)c3ccccc3C2=O)c1.COc1ccc(OC)c(C(=O)C2=C(C)C(=O)c3ncc(C)cc3C2=O)c1.

What is the InChIKey of 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione?

The InChIKey is ICYRNGNLVOMVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5.C20H19NO3.C20H16O5.C20H18O3.2C20H18O2.C19H15FO2.2C18H15NO2/c1-10-7-14-17(21-9-10)18(22)11(2)16(20(14)24)19(23)13-8-12(25-3)5-6-15(13)26-4;1-11-5-14(8-15(6-11)24-4)9-16-13(3)19(22)18-17(20(16)23)7-12(2)10-21-18;1-11-17(19(22)14-7-5-4-6-13(14)18(11)21)20(23)15-10-12(24-2)8-9-16(15)25-3;1-12-8-14(10-15(9-12)23-3)11-18-13(2)19(21)16-6-4-5-7-17(16)20(18)22;2*1-12-4-7-15(8-5-12)11-17-14(3)19(21)16-9-6-13(2)10-18(16)20(17)22;1-11-3-5-13(6-4-11)9-16-12(2)18(21)15-8-7-14(20)10-17(15)19(16)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/h5-9H,1-4H3;5-8,10H,9H2,1-4H3;4-10H,1-3H3;4-10H,11H2,1-3H3;2*4-10H,11H2,1-3H3;3-8,10H,9H2,1-2H3;2*3-9H,10H2,1-2H3.

What are the key properties of 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-dione;6-methyl-7-[(4-methylphenyl)methyl]quinoline-5,8-dione;7-methyl-6-[(4-methylphenyl)methyl]quinoline-5,8-dione?

6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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 2745.13 g/mol, XLogP of 33.07, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethoxybenzoyl)-3,7-dimethylquinoline-5,8-dione;2-(2,5-dimethoxybenzoyl)-3-methylnaphthalene-1,4-dione;bis(2,6-dimethyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione);6-fluoro-2-methyl-3-[(4-methylphenyl)methyl]naphthalene-1,4-dione;6-[(3-methoxy-5-methylphenyl)methyl]-3,7-dimethylquinoline-5,8-dione;2-[(3-methoxy-5-methylphenyl)methyl]-3-methylnaphthalene-1,4-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 158662764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).