7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine

C15H19FN4 — CID 174861457

IUPAC7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine
SMILESNCC1CCN(c2cc(N)c3cccnc3c2CF)C1
InChIInChI=1S/C15H19FN4/c16-7-12-14(20-5-3-10(8-17)9-20)6-13(18)11-2-1-4-19-15(11)12/h1-2,4,6,10H,3,5,7-9,17-18H2
InChIKeyWWBPEJHUJANSPW-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.07
Rot. Bonds3

About 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine

7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine (PubChem CID 174861457) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine
PubChem CID174861457
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine
SMILESNCC1CCN(c2cc(N)c3cccnc3c2CF)C1
InChIInChI=1S/C15H19FN4/c16-7-12-14(20-5-3-10(8-17)9-20)6-13(18)11-2-1-4-19-15(11)12/h1-2,4,6,10H,3,5,7-9,17-18H2
InChIKeyWWBPEJHUJANSPW-UHFFFAOYSA-N
XLogP2.07
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine 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 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine?
The IUPAC name of 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine (CID 174861457) is 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine.
What is the SMILES notation for 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine?
The canonical SMILES for 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine is NCC1CCN(c2cc(N)c3cccnc3c2CF)C1.
What is the InChIKey of 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine?
The InChIKey is WWBPEJHUJANSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c16-7-12-14(20-5-3-10(8-17)9-20)6-13(18)11-2-1-4-19-15(11)12/h1-2,4,6,10H,3,5,7-9,17-18H2.
What are the key properties of 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine?
7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine has a molecular weight of 274.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine is sourced from PubChem (CID 174861457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).