1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol

C21H24FN3O2 — CID 56969578

IUPAC1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol
SMILESCNc1ccc(-c2ccc3cc(N(C)C)ccc3n2)cc1OCC(O)CF
InChIInChI=1S/C21H24FN3O2/c1-23-20-8-5-15(11-21(20)27-13-17(26)12-22)18-7-4-14-10-16(25(2)3)6-9-19(14)24-18/h4-11,17,23,26H,12-13H2,1-3H3
InChIKeyDPOKXYUQRVTLEC-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.72
Rot. Bonds7

About 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol

1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol (PubChem CID 56969578) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol
PubChem CID56969578
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol
SMILESCNc1ccc(-c2ccc3cc(N(C)C)ccc3n2)cc1OCC(O)CF
InChIInChI=1S/C21H24FN3O2/c1-23-20-8-5-15(11-21(20)27-13-17(26)12-22)18-7-4-14-10-16(25(2)3)6-9-19(14)24-18/h4-11,17,23,26H,12-13H2,1-3H3
InChIKeyDPOKXYUQRVTLEC-UHFFFAOYSA-N
XLogP3.72
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol?
The IUPAC name of 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol (CID 56969578) is 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol is CNc1ccc(-c2ccc3cc(N(C)C)ccc3n2)cc1OCC(O)CF.
What is the InChIKey of 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol?
The InChIKey is DPOKXYUQRVTLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-23-20-8-5-15(11-21(20)27-13-17(26)12-22)18-7-4-14-10-16(25(2)3)6-9-19(14)24-18/h4-11,17,23,26H,12-13H2,1-3H3.
What are the key properties of 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol?
1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol has a molecular weight of 369.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(dimethylamino)quinolin-2-yl]-2-(methylamino)phenoxy]-3-fluoropropan-2-ol is sourced from PubChem (CID 56969578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).