N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine

C18H21N3S — CID 10470723

IUPACN,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H21N3S/c1-20(2)10-11-21(3)17-13-16(18-9-6-12-22-18)19-15-8-5-4-7-14(15)17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyBCRRTWUYIYRLQW-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.96
Rot. Bonds5

About N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 10470723) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine
PubChem CID10470723
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H21N3S/c1-20(2)10-11-21(3)17-13-16(18-9-6-12-22-18)19-15-8-5-4-7-14(15)17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyBCRRTWUYIYRLQW-UHFFFAOYSA-N
XLogP3.96
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine (CID 10470723) is N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine is CN(C)CCN(C)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is BCRRTWUYIYRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-20(2)10-11-21(3)17-13-16(18-9-6-12-22-18)19-15-8-5-4-7-14(15)17/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 311.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(2-thiophen-2-ylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 10470723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).