N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine

C14H19N3O — CID 6425207

IUPACN'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine
SMILESCCOc1c(C)c(NCCN)nc2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-18-13-10(2)14(16-9-8-15)17-12-7-5-4-6-11(12)13/h4-7H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyLQPAWUZUUTVAPE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.31
Rot. Bonds5

About N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine

N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine (PubChem CID 6425207) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine
PubChem CID6425207
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine
SMILESCCOc1c(C)c(NCCN)nc2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-18-13-10(2)14(16-9-8-15)17-12-7-5-4-6-11(12)13/h4-7H,3,8-9,15H2,1-2H3,(H,16,17)
InChIKeyLQPAWUZUUTVAPE-UHFFFAOYSA-N
XLogP2.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine (CID 6425207) is N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine is CCOc1c(C)c(NCCN)nc2ccccc12.
What is the InChIKey of N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine?
The InChIKey is LQPAWUZUUTVAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-13-10(2)14(16-9-8-15)17-12-7-5-4-6-11(12)13/h4-7H,3,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine?
N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 6425207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).