1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine

C13H16ClN3 — CID 112617871

IUPAC1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H16ClN3/c1-2-16-12(8-15)10-5-6-11(14)9-4-3-7-17-13(9)10/h3-7,12,16H,2,8,15H2,1H3
InChIKeyMAFIOJUFHWLPAW-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.50
Rot. Bonds4

About 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine

1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine (PubChem CID 112617871) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
PubChem CID112617871
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
SMILESCCNC(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H16ClN3/c1-2-16-12(8-15)10-5-6-11(14)9-4-3-7-17-13(9)10/h3-7,12,16H,2,8,15H2,1H3
InChIKeyMAFIOJUFHWLPAW-UHFFFAOYSA-N
XLogP2.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine (CID 112617871) is 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine is CCNC(CN)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine?
The InChIKey is MAFIOJUFHWLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-16-12(8-15)10-5-6-11(14)9-4-3-7-17-13(9)10/h3-7,12,16H,2,8,15H2,1H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine?
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine has a molecular weight of 249.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 112617871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).