N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine

C19H21FN4 — CID 166382355

IUPACN'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESCCc1nc2ccccc2c(NCCNc2ccc(F)cn2)c1C
InChIInChI=1S/C19H21FN4/c1-3-16-13(2)19(15-6-4-5-7-17(15)24-16)22-11-10-21-18-9-8-14(20)12-23-18/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOQIOXAIBLATEDU-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.16
Rot. Bonds6

About N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine

N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 166382355) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine
PubChem CID166382355
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESCCc1nc2ccccc2c(NCCNc2ccc(F)cn2)c1C
InChIInChI=1S/C19H21FN4/c1-3-16-13(2)19(15-6-4-5-7-17(15)24-16)22-11-10-21-18-9-8-14(20)12-23-18/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOQIOXAIBLATEDU-UHFFFAOYSA-N
XLogP4.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.16
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'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine (CID 166382355) is N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine is CCc1nc2ccccc2c(NCCNc2ccc(F)cn2)c1C.
What is the InChIKey of N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is OQIOXAIBLATEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-3-16-13(2)19(15-6-4-5-7-17(15)24-16)22-11-10-21-18-9-8-14(20)12-23-18/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine?
N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 324.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 166382355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).