1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid

C16H17FN2O2 — CID 102784462

IUPAC1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(Cc2cc(F)cc3cccnc23)C1C(=O)O
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-19(15(10)16(20)21)9-12-8-13(17)7-11-3-2-5-18-14(11)12/h2-3,5,7-8,10,15H,4,6,9H2,1H3,(H,20,21)
InChIKeyZLTRXHMTNVBQSJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.67
Rot. Bonds3

About 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102784462) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102784462
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(Cc2cc(F)cc3cccnc23)C1C(=O)O
InChIInChI=1S/C16H17FN2O2/c1-10-4-6-19(15(10)16(20)21)9-12-8-13(17)7-11-3-2-5-18-14(11)12/h2-3,5,7-8,10,15H,4,6,9H2,1H3,(H,20,21)
InChIKeyZLTRXHMTNVBQSJ-UHFFFAOYSA-N
XLogP2.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-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 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102784462) is 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(Cc2cc(F)cc3cccnc23)C1C(=O)O.
What is the InChIKey of 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is ZLTRXHMTNVBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-4-6-19(15(10)16(20)21)9-12-8-13(17)7-11-3-2-5-18-14(11)12/h2-3,5,7-8,10,15H,4,6,9H2,1H3,(H,20,21).
What are the key properties of 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoroquinolin-8-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102784462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).