7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine

C18H19FN4 — CID 121262526

IUPAC7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(CNCCCc3cncc(F)c3)cc2n1
InChIInChI=1S/C18H19FN4/c19-16-8-13(11-22-12-16)2-1-7-21-10-14-3-4-15-5-6-18(20)23-17(15)9-14/h3-6,8-9,11-12,21H,1-2,7,10H2,(H2,20,23)
InChIKeyGIUCGMWNASMMOJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.07
Rot. Bonds6

About 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine

7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine (PubChem CID 121262526) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine
PubChem CID121262526
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(CNCCCc3cncc(F)c3)cc2n1
InChIInChI=1S/C18H19FN4/c19-16-8-13(11-22-12-16)2-1-7-21-10-14-3-4-15-5-6-18(20)23-17(15)9-14/h3-6,8-9,11-12,21H,1-2,7,10H2,(H2,20,23)
InChIKeyGIUCGMWNASMMOJ-UHFFFAOYSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine (CID 121262526) is 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine is Nc1ccc2ccc(CNCCCc3cncc(F)c3)cc2n1.
What is the InChIKey of 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine?
The InChIKey is GIUCGMWNASMMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-16-8-13(11-22-12-16)2-1-7-21-10-14-3-4-15-5-6-18(20)23-17(15)9-14/h3-6,8-9,11-12,21H,1-2,7,10H2,(H2,20,23).
What are the key properties of 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine?
7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine has a molecular weight of 310.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(5-fluoro-3-pyridinyl)propylamino]methyl]quinolin-2-amine is sourced from PubChem (CID 121262526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).