1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one

C174H208N6O12 — CID 158616452

IUPAC1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one
SMILESCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1.CCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1.CCCCCCCC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(C)CO)c1.CCCCCCCC(=O)Cc1ncc2ccccc2c1-c1ccccc1
InChIInChI=1S/C29H37NO2.C27H33NO3.C26H31NO3.C25H29NO.C25H28O.C24H27NO.C18H23NO/c1-3-4-5-6-7-13-26(32)19-25-20-30-28-15-9-8-14-27(28)29(25)24-12-10-11-23(18-24)17-16-22(2)21-31;1-2-3-4-5-11-23(30)17-22-18-28-26-13-7-6-12-25(26)27(22)21-10-8-9-20(16-21)14-15-24(31)19-29;1-2-3-4-10-22(29)16-21-17-27-25-12-6-5-11-24(25)26(21)20-9-7-8-19(15-20)13-14-23(30)18-28;1-3-4-5-6-10-15-21(27)18-23-19(2)26-24-17-12-11-16-22(24)25(23)20-13-8-7-9-14-20;1-2-3-4-5-9-15-23(26)19-22-18-17-20-12-10-11-16-24(20)25(22)21-13-7-6-8-14-21;1-2-3-4-5-9-15-21(26)17-23-24(19-12-7-6-8-13-19)22-16-11-10-14-20(22)18-25-23;1-2-3-4-5-6-10-17(20)13-15-12-16-9-7-8-11-18(16)19-14-15/h8-12,14-15,18,20,22,31H,3-7,13,16-17,19,21H2,1-2H3;6-10,12-13,16,18,24,29,31H,2-5,11,14-15,17,19H2,1H3;5-9,11-12,15,17,23,28,30H,2-4,10,13-14,16,18H2,1H3;7-9,11-14,16-17H,3-6,10,15,18H2,1-2H3;6-8,10-14,16-18H,2-5,9,15,19H2,1H3;6-8,10-14,16,18H,2-5,9,15,17H2,1H3;7-9,11-12,14H,2-6,10,13H2,1H3
InChIKeyHXLJNVYLVHZIHM-UHFFFAOYSA-N
MW2575.61 g/mol
LogP41.83
Rot. Bonds71

About 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one

1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one (PubChem CID 158616452) has the molecular formula C174H208N6O12 and a molecular weight of 2575.61 g/mol. Its IUPAC name is 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one.

Molecular Properties

Compound Name1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one
PubChem CID158616452
Molecular FormulaC174H208N6O12
Molecular Weight2575.61 g/mol
Exact Mass2573.59
IUPAC Name1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one
SMILESCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1.CCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1.CCCCCCCC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(C)CO)c1.CCCCCCCC(=O)Cc1ncc2ccccc2c1-c1ccccc1
InChIInChI=1S/C29H37NO2.C27H33NO3.C26H31NO3.C25H29NO.C25H28O.C24H27NO.C18H23NO/c1-3-4-5-6-7-13-26(32)19-25-20-30-28-15-9-8-14-27(28)29(25)24-12-10-11-23(18-24)17-16-22(2)21-31;1-2-3-4-5-11-23(30)17-22-18-28-26-13-7-6-12-25(26)27(22)21-10-8-9-20(16-21)14-15-24(31)19-29;1-2-3-4-10-22(29)16-21-17-27-25-12-6-5-11-24(25)26(21)20-9-7-8-19(15-20)13-14-23(30)18-28;1-3-4-5-6-10-15-21(27)18-23-19(2)26-24-17-12-11-16-22(24)25(23)20-13-8-7-9-14-20;1-2-3-4-5-9-15-23(26)19-22-18-17-20-12-10-11-16-24(20)25(22)21-13-7-6-8-14-21;1-2-3-4-5-9-15-21(26)17-23-24(19-12-7-6-8-13-19)22-16-11-10-14-20(22)18-25-23;1-2-3-4-5-6-10-17(20)13-15-12-16-9-7-8-11-18(16)19-14-15/h8-12,14-15,18,20,22,31H,3-7,13,16-17,19,21H2,1-2H3;6-10,12-13,16,18,24,29,31H,2-5,11,14-15,17,19H2,1H3;5-9,11-12,15,17,23,28,30H,2-4,10,13-14,16,18H2,1H3;7-9,11-14,16-17H,3-6,10,15,18H2,1-2H3;6-8,10-14,16-18H,2-5,9,15,19H2,1H3;6-8,10-14,16,18H,2-5,9,15,17H2,1H3;7-9,11-12,14H,2-6,10,13H2,1H3
InChIKeyHXLJNVYLVHZIHM-UHFFFAOYSA-N
XLogP41.83
TPSA297.98 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds71
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002575.61
LogP ≤ 541.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one?
The IUPAC name of 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one (CID 158616452) is 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one.
What is the SMILES notation for 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one?
The canonical SMILES for 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one is CCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1.CCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1.CCCCCCCC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(CCC(C)CO)c1.CCCCCCCC(=O)Cc1ncc2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one?
The InChIKey is HXLJNVYLVHZIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO2.C27H33NO3.C26H31NO3.C25H29NO.C25H28O.C24H27NO.C18H23NO/c1-3-4-5-6-7-13-26(32)19-25-20-30-28-15-9-8-14-27(28)29(25)24-12-10-11-23(18-24)17-16-22(2)21-31;1-2-3-4-5-11-23(30)17-22-18-28-26-13-7-6-12-25(26)27(22)21-10-8-9-20(16-21)14-15-24(31)19-29;1-2-3-4-10-22(29)16-21-17-27-25-12-6-5-11-24(25)26(21)20-9-7-8-19(15-20)13-14-23(30)18-28;1-3-4-5-6-10-15-21(27)18-23-19(2)26-24-17-12-11-16-22(24)25(23)20-13-8-7-9-14-20;1-2-3-4-5-9-15-23(26)19-22-18-17-20-12-10-11-16-24(20)25(22)21-13-7-6-8-14-21;1-2-3-4-5-9-15-21(26)17-23-24(19-12-7-6-8-13-19)22-16-11-10-14-20(22)18-25-23;1-2-3-4-5-6-10-17(20)13-15-12-16-9-7-8-11-18(16)19-14-15/h8-12,14-15,18,20,22,31H,3-7,13,16-17,19,21H2,1-2H3;6-10,12-13,16,18,24,29,31H,2-5,11,14-15,17,19H2,1H3;5-9,11-12,15,17,23,28,30H,2-4,10,13-14,16,18H2,1H3;7-9,11-14,16-17H,3-6,10,15,18H2,1-2H3;6-8,10-14,16-18H,2-5,9,15,19H2,1H3;6-8,10-14,16,18H,2-5,9,15,17H2,1H3;7-9,11-12,14H,2-6,10,13H2,1H3.
What are the key properties of 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one?
1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one has a molecular weight of 2575.61 g/mol, XLogP of 41.83, 71 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]heptan-2-one;1-[4-[3-(3,4-dihydroxybutyl)phenyl]quinolin-3-yl]octan-2-one;1-[4-[3-(4-hydroxy-3-methylbutyl)phenyl]quinolin-3-yl]nonan-2-one;1-(2-methyl-4-phenylquinolin-3-yl)nonan-2-one;1-(4-phenylisoquinolin-3-yl)nonan-2-one;1-(1-phenylnaphthalen-2-yl)nonan-2-one;1-quinolin-3-ylnonan-2-one is sourced from PubChem (CID 158616452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).