6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol

C34H36N2O3 — CID 15947586

IUPAC6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol
SMILESCOc1nc2ccc(-c3ccco3)cc2cc1C(c1ccccc1)C(O)(CCCCN(C)C)c1ccccc1
InChIInChI=1S/C34H36N2O3/c1-36(2)21-11-10-20-34(37,28-15-8-5-9-16-28)32(25-13-6-4-7-14-25)29-24-27-23-26(31-17-12-22-39-31)18-19-30(27)35-33(29)38-3/h4-9,12-19,22-24,32,37H,10-11,20-21H2,1-3H3
InChIKeyFTZDPUOVJKGSJM-UHFFFAOYSA-N
MW520.67 g/mol
LogP7.26
Rot. Bonds11

About 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol

6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol (PubChem CID 15947586) has the molecular formula C34H36N2O3 and a molecular weight of 520.67 g/mol. Its IUPAC name is 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol.

Molecular Properties

Compound Name6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol
PubChem CID15947586
Molecular FormulaC34H36N2O3
Molecular Weight520.67 g/mol
Exact Mass520.27
IUPAC Name6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol
SMILESCOc1nc2ccc(-c3ccco3)cc2cc1C(c1ccccc1)C(O)(CCCCN(C)C)c1ccccc1
InChIInChI=1S/C34H36N2O3/c1-36(2)21-11-10-20-34(37,28-15-8-5-9-16-28)32(25-13-6-4-7-14-25)29-24-27-23-26(31-17-12-22-39-31)18-19-30(27)35-33(29)38-3/h4-9,12-19,22-24,32,37H,10-11,20-21H2,1-3H3
InChIKeyFTZDPUOVJKGSJM-UHFFFAOYSA-N
XLogP7.26
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol?
The IUPAC name of 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol (CID 15947586) is 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol.
What is the SMILES notation for 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol?
The canonical SMILES for 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol is COc1nc2ccc(-c3ccco3)cc2cc1C(c1ccccc1)C(O)(CCCCN(C)C)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol?
The InChIKey is FTZDPUOVJKGSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O3/c1-36(2)21-11-10-20-34(37,28-15-8-5-9-16-28)32(25-13-6-4-7-14-25)29-24-27-23-26(31-17-12-22-39-31)18-19-30(27)35-33(29)38-3/h4-9,12-19,22-24,32,37H,10-11,20-21H2,1-3H3.
What are the key properties of 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol?
6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol has a molecular weight of 520.67 g/mol, XLogP of 7.26, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol is sourced from PubChem (CID 15947586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).