6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid

C15H15FN2O3 — CID 175477073

IUPAC6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CCOC(CF)C3)cc12
InChIInChI=1S/C15H15FN2O3/c16-8-11-9-18(5-6-21-11)10-1-2-14-13(7-10)12(15(19)20)3-4-17-14/h1-4,7,11H,5-6,8-9H2,(H,19,20)
InChIKeyIKXJRUJXCSYTDS-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.11
Rot. Bonds3

About 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid

6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid (PubChem CID 175477073) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
PubChem CID175477073
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(N3CCOC(CF)C3)cc12
InChIInChI=1S/C15H15FN2O3/c16-8-11-9-18(5-6-21-11)10-1-2-14-13(7-10)12(15(19)20)3-4-17-14/h1-4,7,11H,5-6,8-9H2,(H,19,20)
InChIKeyIKXJRUJXCSYTDS-UHFFFAOYSA-N
XLogP2.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid (CID 175477073) is 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(N3CCOC(CF)C3)cc12.
What is the InChIKey of 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid?
The InChIKey is IKXJRUJXCSYTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-8-11-9-18(5-6-21-11)10-1-2-14-13(7-10)12(15(19)20)3-4-17-14/h1-4,7,11H,5-6,8-9H2,(H,19,20).
What are the key properties of 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid?
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 175477073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).