1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)

C115H105N7O6 — CID 163612684

IUPAC1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)
SMILESCc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc2cccc(CC(=O)c3ccc(N(C)C)cc3)c2n1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1
InChIInChI=1S/C20H20N2O.5C19H17NO/c1-14-7-8-16-5-4-6-17(20(16)21-14)13-19(23)15-9-11-18(12-10-15)22(2)3;2*1-13-5-3-7-16(11-13)18(21)12-17-8-4-6-15-10-9-14(2)20-19(15)17;3*1-13-6-9-15(10-7-13)18(21)12-17-5-3-4-16-11-8-14(2)20-19(16)17/h4-12H,13H2,1-3H3;5*3-11H,12H2,1-2H3
InChIKeyHHHJEILMOUEZIM-UHFFFAOYSA-N
MW1681.15 g/mol
LogP25.42
Rot. Bonds19

About 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)

1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) (PubChem CID 163612684) has the molecular formula C115H105N7O6 and a molecular weight of 1681.15 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone).

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)
PubChem CID163612684
Molecular FormulaC115H105N7O6
Molecular Weight1681.15 g/mol
Exact Mass1679.81
IUPAC Name1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)
SMILESCc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc2cccc(CC(=O)c3ccc(N(C)C)cc3)c2n1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1
InChIInChI=1S/C20H20N2O.5C19H17NO/c1-14-7-8-16-5-4-6-17(20(16)21-14)13-19(23)15-9-11-18(12-10-15)22(2)3;2*1-13-5-3-7-16(11-13)18(21)12-17-8-4-6-15-10-9-14(2)20-19(15)17;3*1-13-6-9-15(10-7-13)18(21)12-17-5-3-4-16-11-8-14(2)20-19(16)17/h4-12H,13H2,1-3H3;5*3-11H,12H2,1-2H3
InChIKeyHHHJEILMOUEZIM-UHFFFAOYSA-N
XLogP25.42
TPSA183.00 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001681.15
LogP ≤ 525.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) with MolForge

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Related Compounds

2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 158324541
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
1-(4-butylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(4-tert-butylphenyl)-2-(2-methylquinolin-8-yl)ethanone;3,3-dimethyl-1-(2-methylquinolin-8-yl)butan-2-one;4,4-dimethyl-1-(2-methylquinolin-8-yl)pentan-2-one;4-methyl-1-(2-methylquinolin-8-yl)pentan-2-one;1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;1-(3-methylphenyl)-2-quinolin-8-ylethanone;1-(4-methylphenyl)-2-quinolin-8-ylethanone
CID 158220626
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone
CID 11529405
3-[4-(dimethylamino)phenyl]-2-hydroxy-1-(3-methylphenyl)propan-1-one
CID 70453324
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
CID 153405908
1-[6-(dimethylamino)naphthalen-2-yl]-2-hydroxyethanone
CID 177451598

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) (CID 163612684) is 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone).
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) is Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc2cccc(CC(=O)c3ccc(N(C)C)cc3)c2n1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
The InChIKey is HHHJEILMOUEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.5C19H17NO/c1-14-7-8-16-5-4-6-17(20(16)21-14)13-19(23)15-9-11-18(12-10-15)22(2)3;2*1-13-5-3-7-16(11-13)18(21)12-17-8-4-6-15-10-9-14(2)20-19(15)17;3*1-13-6-9-15(10-7-13)18(21)12-17-5-3-4-16-11-8-14(2)20-19(16)17/h4-12H,13H2,1-3H3;5*3-11H,12H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) has a molecular weight of 1681.15 g/mol, XLogP of 25.42, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) is sourced from PubChem (CID 163612684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).