3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol

C25H26N2O3 — CID 58857534

IUPAC3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol
SMILESCOc1nc2cccc(C(O)(CCN(C)C)c3ccco3)c2cc1-c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-27(2)15-14-25(28,23-13-8-16-30-23)21-11-7-12-22-20(21)17-19(24(26-22)29-3)18-9-5-4-6-10-18/h4-13,16-17,28H,14-15H2,1-3H3
InChIKeyJJDINXAXQQAUNA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.69
Rot. Bonds7

About 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol

3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol (PubChem CID 58857534) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol
PubChem CID58857534
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol
SMILESCOc1nc2cccc(C(O)(CCN(C)C)c3ccco3)c2cc1-c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-27(2)15-14-25(28,23-13-8-16-30-23)21-11-7-12-22-20(21)17-19(24(26-22)29-3)18-9-5-4-6-10-18/h4-13,16-17,28H,14-15H2,1-3H3
InChIKeyJJDINXAXQQAUNA-UHFFFAOYSA-N
XLogP4.69
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol (CID 58857534) is 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol is COc1nc2cccc(C(O)(CCN(C)C)c3ccco3)c2cc1-c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol?
The InChIKey is JJDINXAXQQAUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-27(2)15-14-25(28,23-13-8-16-30-23)21-11-7-12-22-20(21)17-19(24(26-22)29-3)18-9-5-4-6-10-18/h4-13,16-17,28H,14-15H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol?
3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol has a molecular weight of 402.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-phenylquinolin-5-yl)propan-1-ol is sourced from PubChem (CID 58857534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).