N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine

C20H24N4 — CID 91938184

IUPACN',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H24N4/c1-3-24(4-2)13-12-22-20-14-19(16-8-7-11-21-15-16)23-18-10-6-5-9-17(18)20/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyPSOSXXITGCKACF-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.05
Rot. Bonds7

About N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 91938184) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine
PubChem CID91938184
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H24N4/c1-3-24(4-2)13-12-22-20-14-19(16-8-7-11-21-15-16)23-18-10-6-5-9-17(18)20/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,22,23)
InChIKeyPSOSXXITGCKACF-UHFFFAOYSA-N
XLogP4.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine (CID 91938184) is N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine is CCN(CC)CCNc1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is PSOSXXITGCKACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-3-24(4-2)13-12-22-20-14-19(16-8-7-11-21-15-16)23-18-10-6-5-9-17(18)20/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,22,23).
What are the key properties of N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 320.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 91938184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).