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

C20H24N2O3 — CID 58442708

IUPAC3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol
SMILESCOc1nc2ccc(C(O)(CCN(C)C)c3ccco3)cc2cc1C
InChIInChI=1S/C20H24N2O3/c1-14-12-15-13-16(7-8-17(15)21-19(14)24-4)20(23,9-10-22(2)3)18-6-5-11-25-18/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyQJQQCPDZUUFRFN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.33
Rot. Bonds6

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

3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol (PubChem CID 58442708) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol
PubChem CID58442708
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol
SMILESCOc1nc2ccc(C(O)(CCN(C)C)c3ccco3)cc2cc1C
InChIInChI=1S/C20H24N2O3/c1-14-12-15-13-16(7-8-17(15)21-19(14)24-4)20(23,9-10-22(2)3)18-6-5-11-25-18/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyQJQQCPDZUUFRFN-UHFFFAOYSA-N
XLogP3.33
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.33
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-methylquinolin-6-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol (CID 58442708) is 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol is COc1nc2ccc(C(O)(CCN(C)C)c3ccco3)cc2cc1C.
What is the InChIKey of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol?
The InChIKey is QJQQCPDZUUFRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-12-15-13-16(7-8-17(15)21-19(14)24-4)20(23,9-10-22(2)3)18-6-5-11-25-18/h5-8,11-13,23H,9-10H2,1-4H3.
What are the key properties of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol?
3-(dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol has a molecular weight of 340.42 g/mol, XLogP of 3.33, 6 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-methylquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 58442708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).