2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol

C13H15FN2O — CID 90254076

IUPAC2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol
SMILESCc1ccc2ncc(N)c(C(C)(C)O)c2c1F
InChIInChI=1S/C13H15FN2O/c1-7-4-5-9-10(12(7)14)11(13(2,3)17)8(15)6-16-9/h4-6,17H,15H2,1-3H3
InChIKeyKMWGFRNNSXRNFM-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.49
Rot. Bonds1

About 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol

2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol (PubChem CID 90254076) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol
PubChem CID90254076
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol
SMILESCc1ccc2ncc(N)c(C(C)(C)O)c2c1F
InChIInChI=1S/C13H15FN2O/c1-7-4-5-9-10(12(7)14)11(13(2,3)17)8(15)6-16-9/h4-6,17H,15H2,1-3H3
InChIKeyKMWGFRNNSXRNFM-UHFFFAOYSA-N
XLogP2.49
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol (CID 90254076) is 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol is Cc1ccc2ncc(N)c(C(C)(C)O)c2c1F.
What is the InChIKey of 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol?
The InChIKey is KMWGFRNNSXRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-7-4-5-9-10(12(7)14)11(13(2,3)17)8(15)6-16-9/h4-6,17H,15H2,1-3H3.
What are the key properties of 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol?
2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol has a molecular weight of 234.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoro-6-methylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 90254076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).