N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine

C17H23FN4 — CID 145200182

IUPACN-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine
SMILESNCCCN1CCC(CNc2ccnc3cc(F)ccc23)C1
InChIInChI=1S/C17H23FN4/c18-14-2-3-15-16(4-7-20-17(15)10-14)21-11-13-5-9-22(12-13)8-1-6-19/h2-4,7,10,13H,1,5-6,8-9,11-12,19H2,(H,20,21)
InChIKeyMEMLEJFJPQUHTG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.46
Rot. Bonds6

About N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine

N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine (PubChem CID 145200182) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine
PubChem CID145200182
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC NameN-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine
SMILESNCCCN1CCC(CNc2ccnc3cc(F)ccc23)C1
InChIInChI=1S/C17H23FN4/c18-14-2-3-15-16(4-7-20-17(15)10-14)21-11-13-5-9-22(12-13)8-1-6-19/h2-4,7,10,13H,1,5-6,8-9,11-12,19H2,(H,20,21)
InChIKeyMEMLEJFJPQUHTG-UHFFFAOYSA-N
XLogP2.46
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-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 N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine?
The IUPAC name of N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine (CID 145200182) is N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine.
What is the SMILES notation for N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine?
The canonical SMILES for N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine is NCCCN1CCC(CNc2ccnc3cc(F)ccc23)C1.
What is the InChIKey of N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine?
The InChIKey is MEMLEJFJPQUHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c18-14-2-3-15-16(4-7-20-17(15)10-14)21-11-13-5-9-22(12-13)8-1-6-19/h2-4,7,10,13H,1,5-6,8-9,11-12,19H2,(H,20,21).
What are the key properties of N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine?
N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine has a molecular weight of 302.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminopropyl)pyrrolidin-3-yl]methyl]-7-fluoroquinolin-4-amine is sourced from PubChem (CID 145200182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).