3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol

C154H164Br3ClF2N8O10 — CID 157417945

IUPAC3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol
SMILESCCCCC(O)(CCc1ccc(F)cc1)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC.CCCCC(O)(CCc1ccc(F)cc1)C(c1ccccc1)c1cc2ccccc2nc1OC.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1cccc2ccccc12)CCN(C)C.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CCN(C)C.COc1nc2ccc(Cl)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CCN(C)C
InChIInChI=1S/C34H35BrN2O2.C30H31BrFNO2.C30H33BrN2O2.C30H33ClN2O2.C30H32FNO2/c1-37(2)21-20-34(38,19-18-25-14-9-13-24-10-7-8-15-29(24)25)32(26-11-5-4-6-12-26)30-23-27-22-28(35)16-17-31(27)36-33(30)39-3;1-3-4-17-30(34,18-16-21-10-13-25(32)14-11-21)28(22-8-6-5-7-9-22)26-20-23-19-24(31)12-15-27(23)33-29(26)35-2;2*1-33(2)19-18-30(34,17-16-22-10-6-4-7-11-22)28(23-12-8-5-9-13-23)26-21-24-20-25(31)14-15-27(24)32-29(26)35-3;1-3-4-19-30(33,20-18-22-14-16-25(31)17-15-22)28(23-10-6-5-7-11-23)26-21-24-12-8-9-13-27(24)32-29(26)34-2/h4-17,22-23,32,38H,18-21H2,1-3H3;5-15,19-20,28,34H,3-4,16-18H2,1-2H3;2*4-15,20-21,28,34H,16-19H2,1-3H3;5-17,21,28,33H,3-4,18-20H2,1-2H3
InChIKeyBPBLODOZXUHRSL-UHFFFAOYSA-N
MW2600.21 g/mol
LogP35.30
Rot. Bonds50

About 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol

3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol (PubChem CID 157417945) has the molecular formula C154H164Br3ClF2N8O10 and a molecular weight of 2600.21 g/mol. Its IUPAC name is 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol.

Molecular Properties

Compound Name3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol
PubChem CID157417945
Molecular FormulaC154H164Br3ClF2N8O10
Molecular Weight2600.21 g/mol
Exact Mass2594.98
IUPAC Name3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol
SMILESCCCCC(O)(CCc1ccc(F)cc1)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC.CCCCC(O)(CCc1ccc(F)cc1)C(c1ccccc1)c1cc2ccccc2nc1OC.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1cccc2ccccc12)CCN(C)C.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CCN(C)C.COc1nc2ccc(Cl)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CCN(C)C
InChIInChI=1S/C34H35BrN2O2.C30H31BrFNO2.C30H33BrN2O2.C30H33ClN2O2.C30H32FNO2/c1-37(2)21-20-34(38,19-18-25-14-9-13-24-10-7-8-15-29(24)25)32(26-11-5-4-6-12-26)30-23-27-22-28(35)16-17-31(27)36-33(30)39-3;1-3-4-17-30(34,18-16-21-10-13-25(32)14-11-21)28(22-8-6-5-7-9-22)26-20-23-19-24(31)12-15-27(23)33-29(26)35-2;2*1-33(2)19-18-30(34,17-16-22-10-6-4-7-11-22)28(23-12-8-5-9-13-23)26-21-24-20-25(31)14-15-27(24)32-29(26)35-3;1-3-4-19-30(33,20-18-22-14-16-25(31)17-15-22)28(23-10-6-5-7-11-23)26-21-24-12-8-9-13-27(24)32-29(26)34-2/h4-17,22-23,32,38H,18-21H2,1-3H3;5-15,19-20,28,34H,3-4,16-18H2,1-2H3;2*4-15,20-21,28,34H,16-19H2,1-3H3;5-17,21,28,33H,3-4,18-20H2,1-2H3
InChIKeyBPBLODOZXUHRSL-UHFFFAOYSA-N
XLogP35.30
TPSA221.47 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds50
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.21
LogP ≤ 535.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol with MolForge

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Related Compounds

1-(6-Bromo-2-methoxy-3-quinolyl)-2-(1-naphthyl)-1-phenyl-4-(1-piperidyl)butan-2-ol
CID 16044000
1-(6-Bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-1-(4-fluorophenyl)-2-(1-naphthyl)butan-2-ol
CID 15979783
tert-butyl (2S)-4-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 89880672
Tert-butyl 4-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 89880714
Tert-butyl 4-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 89880722
Tert-butyl 4-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 89880766
4-[(6-Bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-ol
CID 117893148
4-[(6-Bromo-2-methoxyquinolin-3-yl)-(3-chlorophenyl)methyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-ol
CID 117893158
4-[(6-Bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]piperidin-4-ol
CID 117932886
(2S)-4-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxylic acid
CID 122576225
4-[(6-Bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-2-(4-fluoro-2-methylphenyl)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidin-4-ol
CID 164175836
1-(6-Bromo-2-methoxy-3-quinolyl)-1-(4-chlorophenyl)-4-(dimethylamino)-2-(1-naphthyl)butan-2-ol
CID 49767231

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol?
The IUPAC name of 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol (CID 157417945) is 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol.
What is the SMILES notation for 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol?
The canonical SMILES for 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol is CCCCC(O)(CCc1ccc(F)cc1)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC.CCCCC(O)(CCc1ccc(F)cc1)C(c1ccccc1)c1cc2ccccc2nc1OC.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1cccc2ccccc12)CCN(C)C.COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CCN(C)C.COc1nc2ccc(Cl)cc2cc1C(c1ccccc1)C(O)(CCc1ccccc1)CCN(C)C.
What is the InChIKey of 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol?
The InChIKey is BPBLODOZXUHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BrN2O2.C30H31BrFNO2.C30H33BrN2O2.C30H33ClN2O2.C30H32FNO2/c1-37(2)21-20-34(38,19-18-25-14-9-13-24-10-7-8-15-29(24)25)32(26-11-5-4-6-12-26)30-23-27-22-28(35)16-17-31(27)36-33(30)39-3;1-3-4-17-30(34,18-16-21-10-13-25(32)14-11-21)28(22-8-6-5-7-9-22)26-20-23-19-24(31)12-15-27(23)33-29(26)35-2;2*1-33(2)19-18-30(34,17-16-22-10-6-4-7-11-22)28(23-12-8-5-9-13-23)26-21-24-20-25(31)14-15-27(24)32-29(26)35-3;1-3-4-19-30(33,20-18-22-14-16-25(31)17-15-22)28(23-10-6-5-7-11-23)26-21-24-12-8-9-13-27(24)32-29(26)34-2/h4-17,22-23,32,38H,18-21H2,1-3H3;5-15,19-20,28,34H,3-4,16-18H2,1-2H3;2*4-15,20-21,28,34H,16-19H2,1-3H3;5-17,21,28,33H,3-4,18-20H2,1-2H3.
What are the key properties of 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol?
3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol has a molecular weight of 2600.21 g/mol, XLogP of 35.30, 50 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-naphthalen-1-ylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(4-fluorophenyl)heptan-3-ol;3-[(6-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-1-(dimethylamino)-5-phenylpentan-3-ol;1-(4-fluorophenyl)-3-[(2-methoxyquinolin-3-yl)-phenylmethyl]heptan-3-ol is sourced from PubChem (CID 157417945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).