6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol

C38H38N2O3 — CID 59178232

IUPAC6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
SMILESCOc1nc2ccccc2cc1C(c1ccc(-c2ccoc2)cc1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C38H38N2O3/c1-40(2)22-9-8-21-38(41,33-19-18-27-10-4-5-11-30(27)24-33)36(29-16-14-28(15-17-29)32-20-23-43-26-32)34-25-31-12-6-7-13-35(31)39-37(34)42-3/h4-7,10-20,23-26,36,41H,8-9,21-22H2,1-3H3
InChIKeyGUMBROBEVNGVBO-UHFFFAOYSA-N
MW570.73 g/mol
LogP8.41
Rot. Bonds11

About 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol

6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol (PubChem CID 59178232) has the molecular formula C38H38N2O3 and a molecular weight of 570.73 g/mol. Its IUPAC name is 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol.

Molecular Properties

Compound Name6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
PubChem CID59178232
Molecular FormulaC38H38N2O3
Molecular Weight570.73 g/mol
Exact Mass570.29
IUPAC Name6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol
SMILESCOc1nc2ccccc2cc1C(c1ccc(-c2ccoc2)cc1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C38H38N2O3/c1-40(2)22-9-8-21-38(41,33-19-18-27-10-4-5-11-30(27)24-33)36(29-16-14-28(15-17-29)32-20-23-43-26-32)34-25-31-12-6-7-13-35(31)39-37(34)42-3/h4-7,10-20,23-26,36,41H,8-9,21-22H2,1-3H3
InChIKeyGUMBROBEVNGVBO-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-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
The IUPAC name of 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol (CID 59178232) is 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol.
What is the SMILES notation for 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
The canonical SMILES for 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol is COc1nc2ccccc2cc1C(c1ccc(-c2ccoc2)cc1)C(O)(CCCCN(C)C)c1ccc2ccccc2c1.
What is the InChIKey of 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
The InChIKey is GUMBROBEVNGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2O3/c1-40(2)22-9-8-21-38(41,33-19-18-27-10-4-5-11-30(27)24-33)36(29-16-14-28(15-17-29)32-20-23-43-26-32)34-25-31-12-6-7-13-35(31)39-37(34)42-3/h4-7,10-20,23-26,36,41H,8-9,21-22H2,1-3H3.
What are the key properties of 6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol?
6-(dimethylamino)-1-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-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-[4-(furan-3-yl)phenyl]-1-(2-methoxyquinolin-3-yl)-2-naphthalen-2-ylhexan-2-ol is sourced from PubChem (CID 59178232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).