N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine

C19H21FN4 — CID 167935119

IUPACN-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine
SMILESCCCc1cc(NCCNc2ccc(F)cn2)c2ccccc2n1
InChIInChI=1S/C19H21FN4/c1-2-5-15-12-18(16-6-3-4-7-17(16)24-15)21-10-11-22-19-9-8-14(20)13-23-19/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyWZQOXJRAXWRVTN-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.25
Rot. Bonds7

About N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine

N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 167935119) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine
PubChem CID167935119
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine
SMILESCCCc1cc(NCCNc2ccc(F)cn2)c2ccccc2n1
InChIInChI=1S/C19H21FN4/c1-2-5-15-12-18(16-6-3-4-7-17(16)24-15)21-10-11-22-19-9-8-14(20)13-23-19/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyWZQOXJRAXWRVTN-UHFFFAOYSA-N
XLogP4.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.25
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 N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine (CID 167935119) is N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine is CCCc1cc(NCCNc2ccc(F)cn2)c2ccccc2n1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is WZQOXJRAXWRVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-2-5-15-12-18(16-6-3-4-7-17(16)24-15)21-10-11-22-19-9-8-14(20)13-23-19/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine?
N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 324.40 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-N'-(2-propylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 167935119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).