1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one

C204H233N7O12 — CID 161117513

IUPAC1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one
SMILESCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCCC(=O)Cc1cc2ccccc2cn1.CCCCCCCC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C31H33NO2.C26H31NO2.C25H29NO2.C24H27NO.C24H26O.C23H24O.C18H23NO.C17H21NO.C16H19NO/c1-2-3-4-5-9-16-27(33)20-26-22-32-30-19-11-10-18-29(30)31(26)25-15-12-17-28(21-25)34-23-24-13-7-6-8-14-24;1-2-3-4-5-9-14-23(29)18-22-19-27-26-21(16-17-28)13-10-15-24(26)25(22)20-11-7-6-8-12-20;1-3-4-5-6-10-13-21(27)16-20-18-26-24-15-14-22(28-2)17-23(24)25(20)19-11-8-7-9-12-19;1-2-3-4-5-9-14-21(26)17-20-18-25-23-16-11-10-15-22(23)24(20)19-12-7-6-8-13-19;1-2-3-4-8-14-22(25)18-21-17-16-19-11-9-10-15-23(19)24(21)20-12-6-5-7-13-20;1-2-3-5-13-21(24)17-20-16-15-18-10-8-9-14-22(18)23(20)19-11-6-4-7-12-19;1-2-3-4-5-6-11-18(20)13-17-12-15-9-7-8-10-16(15)14-19-17;1-2-3-4-5-9-16(19)12-14-11-15-8-6-7-10-17(15)18-13-14;1-2-3-4-8-15(18)11-13-10-14-7-5-6-9-16(14)17-12-13/h6-8,10-15,17-19,21-22H,2-5,9,16,20,23H2,1H3;6-8,10-13,15,19,28H,2-5,9,14,16-18H2,1H3;7-9,11-12,14-15,17-18H,3-6,10,13,16H2,1-2H3;6-8,10-13,15-16,18H,2-5,9,14,17H2,1H3;5-7,9-13,15-17H,2-4,8,14,18H2,1H3;4,6-12,14-16H,2-3,5,13,17H2,1H3;7-10,12,14H,2-6,11,13H2,1H3;6-8,10-11,13H,2-5,9,12H2,1H3;5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyUKMYSYVLNRYAHD-UHFFFAOYSA-N
MW2975.14 g/mol
LogP52.36
Rot. Bonds78

About 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one

1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one (PubChem CID 161117513) has the molecular formula C204H233N7O12 and a molecular weight of 2975.14 g/mol. Its IUPAC name is 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one.

Molecular Properties

Compound Name1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one
PubChem CID161117513
Molecular FormulaC204H233N7O12
Molecular Weight2975.14 g/mol
Exact Mass2972.78
IUPAC Name1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one
SMILESCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCCC(=O)Cc1cc2ccccc2cn1.CCCCCCCC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C31H33NO2.C26H31NO2.C25H29NO2.C24H27NO.C24H26O.C23H24O.C18H23NO.C17H21NO.C16H19NO/c1-2-3-4-5-9-16-27(33)20-26-22-32-30-19-11-10-18-29(30)31(26)25-15-12-17-28(21-25)34-23-24-13-7-6-8-14-24;1-2-3-4-5-9-14-23(29)18-22-19-27-26-21(16-17-28)13-10-15-24(26)25(22)20-11-7-6-8-12-20;1-3-4-5-6-10-13-21(27)16-20-18-26-24-15-14-22(28-2)17-23(24)25(20)19-11-8-7-9-12-19;1-2-3-4-5-9-14-21(26)17-20-18-25-23-16-11-10-15-22(23)24(20)19-12-7-6-8-13-19;1-2-3-4-8-14-22(25)18-21-17-16-19-11-9-10-15-23(19)24(21)20-12-6-5-7-13-20;1-2-3-5-13-21(24)17-20-16-15-18-10-8-9-14-22(18)23(20)19-11-6-4-7-12-19;1-2-3-4-5-6-11-18(20)13-17-12-15-9-7-8-10-16(15)14-19-17;1-2-3-4-5-9-16(19)12-14-11-15-8-6-7-10-17(15)18-13-14;1-2-3-4-8-15(18)11-13-10-14-7-5-6-9-16(14)17-12-13/h6-8,10-15,17-19,21-22H,2-5,9,16,20,23H2,1H3;6-8,10-13,15,19,28H,2-5,9,14,16-18H2,1H3;7-9,11-12,14-15,17-18H,3-6,10,13,16H2,1-2H3;6-8,10-13,15-16,18H,2-5,9,14,17H2,1H3;5-7,9-13,15-17H,2-4,8,14,18H2,1H3;4,6-12,14-16H,2-3,5,13,17H2,1H3;7-10,12,14H,2-6,11,13H2,1H3;6-8,10-11,13H,2-5,9,12H2,1H3;5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyUKMYSYVLNRYAHD-UHFFFAOYSA-N
XLogP52.36
TPSA282.55 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds78
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002975.14
LogP ≤ 552.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one?
The IUPAC name of 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one (CID 161117513) is 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one.
What is the SMILES notation for 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one?
The canonical SMILES for 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one is CCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCC(=O)Cc1ccc2ccccc2c1-c1ccccc1.CCCCCCC(=O)Cc1cnc2ccccc2c1.CCCCCCCC(=O)Cc1cc2ccccc2cn1.CCCCCCCC(=O)Cc1cnc2c(CCO)cccc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1cccc(OCc2ccccc2)c1.CCCCCCCC(=O)Cc1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one?
The InChIKey is UKMYSYVLNRYAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO2.C26H31NO2.C25H29NO2.C24H27NO.C24H26O.C23H24O.C18H23NO.C17H21NO.C16H19NO/c1-2-3-4-5-9-16-27(33)20-26-22-32-30-19-11-10-18-29(30)31(26)25-15-12-17-28(21-25)34-23-24-13-7-6-8-14-24;1-2-3-4-5-9-14-23(29)18-22-19-27-26-21(16-17-28)13-10-15-24(26)25(22)20-11-7-6-8-12-20;1-3-4-5-6-10-13-21(27)16-20-18-26-24-15-14-22(28-2)17-23(24)25(20)19-11-8-7-9-12-19;1-2-3-4-5-9-14-21(26)17-20-18-25-23-16-11-10-15-22(23)24(20)19-12-7-6-8-13-19;1-2-3-4-8-14-22(25)18-21-17-16-19-11-9-10-15-23(19)24(21)20-12-6-5-7-13-20;1-2-3-5-13-21(24)17-20-16-15-18-10-8-9-14-22(18)23(20)19-11-6-4-7-12-19;1-2-3-4-5-6-11-18(20)13-17-12-15-9-7-8-10-16(15)14-19-17;1-2-3-4-5-9-16(19)12-14-11-15-8-6-7-10-17(15)18-13-14;1-2-3-4-8-15(18)11-13-10-14-7-5-6-9-16(14)17-12-13/h6-8,10-15,17-19,21-22H,2-5,9,16,20,23H2,1H3;6-8,10-13,15,19,28H,2-5,9,14,16-18H2,1H3;7-9,11-12,14-15,17-18H,3-6,10,13,16H2,1-2H3;6-8,10-13,15-16,18H,2-5,9,14,17H2,1H3;5-7,9-13,15-17H,2-4,8,14,18H2,1H3;4,6-12,14-16H,2-3,5,13,17H2,1H3;7-10,12,14H,2-6,11,13H2,1H3;6-8,10-11,13H,2-5,9,12H2,1H3;5-7,9-10,12H,2-4,8,11H2,1H3.
What are the key properties of 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one?
1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one has a molecular weight of 2975.14 g/mol, XLogP of 52.36, 78 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-hydroxyethyl)-4-phenylquinolin-3-yl]nonan-2-one;1-isoquinolin-3-ylnonan-2-one;1-(6-methoxy-4-phenylquinolin-3-yl)nonan-2-one;1-[4-(3-phenylmethoxyphenyl)quinolin-3-yl]nonan-2-one;1-(1-phenylnaphthalen-2-yl)heptan-2-one;1-(1-phenylnaphthalen-2-yl)octan-2-one;1-(4-phenylquinolin-3-yl)nonan-2-one;1-quinolin-3-ylheptan-2-one;1-quinolin-3-yloctan-2-one is sourced from PubChem (CID 161117513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).