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

C148H152N8O8 — CID 158220626

IUPAC1-(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
SMILESCCCCc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3cccnc23)cc1.Cc1ccc2cccc(CC(=O)C(C)(C)C)c2n1.Cc1ccc2cccc(CC(=O)CC(C)(C)C)c2n1.Cc1ccc2cccc(CC(=O)CC(C)C)c2n1.Cc1ccc2cccc(CC(=O)c3ccc(C(C)(C)C)cc3)c2n1.Cc1cccc(C(=O)Cc2cccc3cccnc23)c1
InChIInChI=1S/2C22H23NO.C19H17NO.2C18H15NO.C17H21NO.2C16H19NO/c1-15-8-9-17-6-5-7-18(21(17)23-15)14-20(24)16-10-12-19(13-11-16)22(2,3)4;1-3-4-6-17-10-13-18(14-11-17)21(24)15-20-8-5-7-19-12-9-16(2)23-22(19)20;1-13-6-9-15(10-7-13)18(21)12-17-5-3-4-16-11-8-14(2)20-19(16)17;1-13-5-2-7-15(11-13)17(20)12-16-8-3-6-14-9-4-10-19-18(14)16;1-13-7-9-14(10-8-13)17(20)12-16-5-2-4-15-6-3-11-19-18(15)16;1-12-8-9-13-6-5-7-14(16(13)18-12)10-15(19)11-17(2,3)4;1-11-8-9-12-6-5-7-13(15(12)17-11)10-14(18)16(2,3)4;1-11(2)9-15(18)10-14-6-4-5-13-8-7-12(3)17-16(13)14/h5-13H,14H2,1-4H3;5,7-14H,3-4,6,15H2,1-2H3;3-11H,12H2,1-2H3;2*2-11H,12H2,1H3;5-9H,10-11H2,1-4H3;5-9H,10H2,1-4H3;4-8,11H,9-10H2,1-3H3
InChIKeyGDEUEAVOESFSCF-UHFFFAOYSA-N
MW2170.89 g/mol
LogP34.28
Rot. Bonds27

About 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

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 (PubChem CID 158220626) has the molecular formula C148H152N8O8 and a molecular weight of 2170.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158220626
Molecular FormulaC148H152N8O8
Molecular Weight2170.89 g/mol
Exact Mass2169.17
IUPAC Name1-(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
SMILESCCCCc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3cccnc23)cc1.Cc1ccc2cccc(CC(=O)C(C)(C)C)c2n1.Cc1ccc2cccc(CC(=O)CC(C)(C)C)c2n1.Cc1ccc2cccc(CC(=O)CC(C)C)c2n1.Cc1ccc2cccc(CC(=O)c3ccc(C(C)(C)C)cc3)c2n1.Cc1cccc(C(=O)Cc2cccc3cccnc23)c1
InChIInChI=1S/2C22H23NO.C19H17NO.2C18H15NO.C17H21NO.2C16H19NO/c1-15-8-9-17-6-5-7-18(21(17)23-15)14-20(24)16-10-12-19(13-11-16)22(2,3)4;1-3-4-6-17-10-13-18(14-11-17)21(24)15-20-8-5-7-19-12-9-16(2)23-22(19)20;1-13-6-9-15(10-7-13)18(21)12-17-5-3-4-16-11-8-14(2)20-19(16)17;1-13-5-2-7-15(11-13)17(20)12-16-8-3-6-14-9-4-10-19-18(14)16;1-13-7-9-14(10-8-13)17(20)12-16-5-2-4-15-6-3-11-19-18(15)16;1-12-8-9-13-6-5-7-14(16(13)18-12)10-15(19)11-17(2,3)4;1-11-8-9-12-6-5-7-13(15(12)17-11)10-14(18)16(2,3)4;1-11(2)9-15(18)10-14-6-4-5-13-8-7-12(3)17-16(13)14/h5-13H,14H2,1-4H3;5,7-14H,3-4,6,15H2,1-2H3;3-11H,12H2,1-2H3;2*2-11H,12H2,1H3;5-9H,10-11H2,1-4H3;5-9H,10H2,1-4H3;4-8,11H,9-10H2,1-3H3
InChIKeyGDEUEAVOESFSCF-UHFFFAOYSA-N
XLogP34.28
TPSA239.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.89
LogP ≤ 534.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3ccc(C)nc23)cc1.Cc1ccc(C(=O)Cc2cccc3cccnc23)cc1.Cc1ccc2cccc(CC(=O)C(C)(C)C)c2n1.Cc1ccc2cccc(CC(=O)CC(C)(C)C)c2n1.Cc1ccc2cccc(CC(=O)CC(C)C)c2n1.Cc1ccc2cccc(CC(=O)c3ccc(C(C)(C)C)cc3)c2n1.Cc1cccc(C(=O)Cc2cccc3cccnc23)c1.
What is the InChIKey of 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?
The InChIKey is GDEUEAVOESFSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23NO.C19H17NO.2C18H15NO.C17H21NO.2C16H19NO/c1-15-8-9-17-6-5-7-18(21(17)23-15)14-20(24)16-10-12-19(13-11-16)22(2,3)4;1-3-4-6-17-10-13-18(14-11-17)21(24)15-20-8-5-7-19-12-9-16(2)23-22(19)20;1-13-6-9-15(10-7-13)18(21)12-17-5-3-4-16-11-8-14(2)20-19(16)17;1-13-5-2-7-15(11-13)17(20)12-16-8-3-6-14-9-4-10-19-18(14)16;1-13-7-9-14(10-8-13)17(20)12-16-5-2-4-15-6-3-11-19-18(15)16;1-12-8-9-13-6-5-7-14(16(13)18-12)10-15(19)11-17(2,3)4;1-11-8-9-12-6-5-7-13(15(12)17-11)10-14(18)16(2,3)4;1-11(2)9-15(18)10-14-6-4-5-13-8-7-12(3)17-16(13)14/h5-13H,14H2,1-4H3;5,7-14H,3-4,6,15H2,1-2H3;3-11H,12H2,1-2H3;2*2-11H,12H2,1H3;5-9H,10-11H2,1-4H3;5-9H,10H2,1-4H3;4-8,11H,9-10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2170.89 g/mol, XLogP of 34.28, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158220626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).