3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol

C15H19FN2O2 — CID 133368217

IUPAC3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESCc1cc(N(CCO)CCCO)c2cc(F)ccc2n1
InChIInChI=1S/C15H19FN2O2/c1-11-9-15(18(6-8-20)5-2-7-19)13-10-12(16)3-4-14(13)17-11/h3-4,9-10,19-20H,2,5-8H2,1H3
InChIKeyAMUUEOFJMABKHU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.86
Rot. Bonds6

About 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol

3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 133368217) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID133368217
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESCc1cc(N(CCO)CCCO)c2cc(F)ccc2n1
InChIInChI=1S/C15H19FN2O2/c1-11-9-15(18(6-8-20)5-2-7-19)13-10-12(16)3-4-14(13)17-11/h3-4,9-10,19-20H,2,5-8H2,1H3
InChIKeyAMUUEOFJMABKHU-UHFFFAOYSA-N
XLogP1.86
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol (CID 133368217) is 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol is Cc1cc(N(CCO)CCCO)c2cc(F)ccc2n1.
What is the InChIKey of 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is AMUUEOFJMABKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11-9-15(18(6-8-20)5-2-7-19)13-10-12(16)3-4-14(13)17-11/h3-4,9-10,19-20H,2,5-8H2,1H3.
What are the key properties of 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol?
3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 278.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 133368217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).