1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)

C132H116ClN7O7 — CID 162263539

IUPAC1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(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)c3ccccc3Cl)c2n1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1
InChIInChI=1S/6C19H17NO.C18H14ClNO/c3*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;1-12-9-10-13-5-4-6-14(18(13)20-12)11-17(21)15-7-2-3-8-16(15)19/h6*3-11H,12H2,1-2H3;2-10H,11H2,1H3
InChIKeyZZOXBARLGIGRHB-UHFFFAOYSA-N
MW1947.87 g/mol
LogP30.28
Rot. Bonds21

About 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)

1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) (PubChem CID 162263539) has the molecular formula C132H116ClN7O7 and a molecular weight of 1947.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone).

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)
PubChem CID162263539
Molecular FormulaC132H116ClN7O7
Molecular Weight1947.87 g/mol
Exact Mass1945.86
IUPAC Name1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(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)c3ccccc3Cl)c2n1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1
InChIInChI=1S/6C19H17NO.C18H14ClNO/c3*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;1-12-9-10-13-5-4-6-14(18(13)20-12)11-17(21)15-7-2-3-8-16(15)19/h6*3-11H,12H2,1-2H3;2-10H,11H2,1H3
InChIKeyZZOXBARLGIGRHB-UHFFFAOYSA-N
XLogP30.28
TPSA209.72 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001947.87
LogP ≤ 530.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

(E)-3-[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 176490481
1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;2-(2,3-dimethylbutan-2-yl)-3,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone
CID 157893383
7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one
CID 158036096
CID 139072657
CID 139072657
(2E)-3-(4-Chlorophenyl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
CID 139080842
(2E)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 139085852
(2E)-3-(2-Chlorobenzo[h]quinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 139085979
(2S)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone;(2R)-2-(4-chlorophenyl)-2-diphenylphosphoryl-1-phenyl-2-quinolin-2-ylethanone
CID 139192507
(e)-3-(2-Chloroquinolin-3-yl)-1-(pyren-3-yl) prop-2-en-1-one
CID 155801928
(2-Chlorophenyl)-(2-naphthalen-2-ylquinolin-8-yl)methanone
CID 168339411
(E)-3-[4-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-2-yl]-1-naphthalen-1-ylprop-2-en-1-one
CID 177698594
[7-(2-Chlorobenzoyl)-9-(2-chlorophenyl)acridin-2-yl]-(2-chlorophenyl)methanone
CID 22023979

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
The IUPAC name of 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) (CID 162263539) is 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(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-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(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)c3ccccc3Cl)c2n1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.Cc1cccc(C(=O)Cc2cccc3ccc(C)nc23)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
The InChIKey is ZZOXBARLGIGRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C19H17NO.C18H14ClNO/c3*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;1-12-9-10-13-5-4-6-14(18(13)20-12)11-17(21)15-7-2-3-8-16(15)19/h6*3-11H,12H2,1-2H3;2-10H,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)?
1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) has a molecular weight of 1947.87 g/mol, XLogP of 30.28, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2-methylquinolin-8-yl)ethanone;tris(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone) is sourced from PubChem (CID 162263539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).