1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol

C18H24FN3O2 — CID 133368837

IUPAC1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(N(C)CC(O)CN2CCOCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H24FN3O2/c1-13-9-18(16-10-14(19)3-4-17(16)20-13)21(2)11-15(23)12-22-5-7-24-8-6-22/h3-4,9-10,15,23H,5-8,11-12H2,1-2H3
InChIKeyIMPGDUVSIIRIDE-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.81
Rot. Bonds5

About 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 133368837) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID133368837
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(N(C)CC(O)CN2CCOCC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H24FN3O2/c1-13-9-18(16-10-14(19)3-4-17(16)20-13)21(2)11-15(23)12-22-5-7-24-8-6-22/h3-4,9-10,15,23H,5-8,11-12H2,1-2H3
InChIKeyIMPGDUVSIIRIDE-UHFFFAOYSA-N
XLogP1.81
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 133368837) is 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol is Cc1cc(N(C)CC(O)CN2CCOCC2)c2cc(F)ccc2n1.
What is the InChIKey of 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is IMPGDUVSIIRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-9-18(16-10-14(19)3-4-17(16)20-13)21(2)11-15(23)12-22-5-7-24-8-6-22/h3-4,9-10,15,23H,5-8,11-12H2,1-2H3.
What are the key properties of 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 333.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 133368837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).