6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol

C38H38N2O3 — CID 59200510

IUPAC6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol
SMILESCOc1nc2ccc(-c3ccco3)cc2cc1C(c1ccccc1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C38H38N2O3/c1-40(2)22-10-9-21-38(41,32-19-17-27-12-7-8-15-29(27)25-32)36(28-13-5-4-6-14-28)33-26-31-24-30(35-16-11-23-43-35)18-20-34(31)39-37(33)42-3/h4-8,11-20,23-26,36,41H,9-10,21-22H2,1-3H3
InChIKeyGQLKZWHJFZICQL-UHFFFAOYSA-N
MW570.73 g/mol
LogP8.41
Rot. Bonds11

About 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol

6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol (PubChem CID 59200510) has the molecular formula C38H38N2O3 and a molecular weight of 570.73 g/mol. Its IUPAC name is 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol.

Molecular Properties

Compound Name6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol
PubChem CID59200510
Molecular FormulaC38H38N2O3
Molecular Weight570.73 g/mol
Exact Mass570.29
IUPAC Name6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol
SMILESCOc1nc2ccc(-c3ccco3)cc2cc1C(c1ccccc1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C38H38N2O3/c1-40(2)22-10-9-21-38(41,32-19-17-27-12-7-8-15-29(27)25-32)36(28-13-5-4-6-14-28)33-26-31-24-30(35-16-11-23-43-35)18-20-34(31)39-37(33)42-3/h4-8,11-20,23-26,36,41H,9-10,21-22H2,1-3H3
InChIKeyGQLKZWHJFZICQL-UHFFFAOYSA-N
XLogP8.41
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.73
LogP ≤ 58.41
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]-2-naphthalen-2-yl-1-phenylhexan-2-ol?
The IUPAC name of 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol (CID 59200510) is 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol.
What is the SMILES notation for 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol?
The canonical SMILES for 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol is COc1nc2ccc(-c3ccco3)cc2cc1C(c1ccccc1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1.
What is the InChIKey of 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol?
The InChIKey is GQLKZWHJFZICQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2O3/c1-40(2)22-10-9-21-38(41,32-19-17-27-12-7-8-15-29(27)25-32)36(28-13-5-4-6-14-28)33-26-31-24-30(35-16-11-23-43-35)18-20-34(31)39-37(33)42-3/h4-8,11-20,23-26,36,41H,9-10,21-22H2,1-3H3.
What are the key properties of 6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol?
6-(dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol has a molecular weight of 570.73 g/mol, XLogP of 8.41, 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]-2-naphthalen-2-yl-1-phenylhexan-2-ol is sourced from PubChem (CID 59200510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).