2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid

C11H9FN2O2 — CID 84623450

IUPAC2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid
SMILESNCc1cc(C(=O)O)c2ccc(F)cc2n1
InChIInChI=1S/C11H9FN2O2/c12-6-1-2-8-9(11(15)16)4-7(5-13)14-10(8)3-6/h1-4H,5,13H2,(H,15,16)
InChIKeySXHSNORGJPKYQJ-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.53
Rot. Bonds2

About 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid

2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid (PubChem CID 84623450) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid
PubChem CID84623450
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid
SMILESNCc1cc(C(=O)O)c2ccc(F)cc2n1
InChIInChI=1S/C11H9FN2O2/c12-6-1-2-8-9(11(15)16)4-7(5-13)14-10(8)3-6/h1-4H,5,13H2,(H,15,16)
InChIKeySXHSNORGJPKYQJ-UHFFFAOYSA-N
XLogP1.53
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-7-fluoroquinoline-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 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid (CID 84623450) is 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid is NCc1cc(C(=O)O)c2ccc(F)cc2n1.
What is the InChIKey of 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid?
The InChIKey is SXHSNORGJPKYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-6-1-2-8-9(11(15)16)4-7(5-13)14-10(8)3-6/h1-4H,5,13H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid?
2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 84623450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).