3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol

C25H26N2O3 — CID 58857473

IUPAC3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol
SMILESCOc1cc(-c2ccccc2)c2cc(C(O)(CCN(C)C)c3ccco3)ccc2n1
InChIInChI=1S/C25H26N2O3/c1-27(2)14-13-25(28,23-10-7-15-30-23)19-11-12-22-21(16-19)20(17-24(26-22)29-3)18-8-5-4-6-9-18/h4-12,15-17,28H,13-14H2,1-3H3
InChIKeyRSTCECABYMCPMT-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.69
Rot. Bonds7

About 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol

3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol (PubChem CID 58857473) 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-4-phenylquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol
PubChem CID58857473
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol
SMILESCOc1cc(-c2ccccc2)c2cc(C(O)(CCN(C)C)c3ccco3)ccc2n1
InChIInChI=1S/C25H26N2O3/c1-27(2)14-13-25(28,23-10-7-15-30-23)19-11-12-22-21(16-19)20(17-24(26-22)29-3)18-8-5-4-6-9-18/h4-12,15-17,28H,13-14H2,1-3H3
InChIKeyRSTCECABYMCPMT-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

Analyze 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol (CID 58857473) is 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol is COc1cc(-c2ccccc2)c2cc(C(O)(CCN(C)C)c3ccco3)ccc2n1.
What is the InChIKey of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol?
The InChIKey is RSTCECABYMCPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-27(2)14-13-25(28,23-10-7-15-30-23)19-11-12-22-21(16-19)20(17-24(26-22)29-3)18-8-5-4-6-9-18/h4-12,15-17,28H,13-14H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol?
3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-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-4-phenylquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 58857473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).