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

C16H20ClN3 — CID 115959558

IUPAC1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3/c17-14-6-5-13(16-12(14)2-1-8-20-16)15(10-18)19-9-7-11-3-4-11/h1-2,5-6,8,11,15,19H,3-4,7,9-10,18H2
InChIKeyPWQVYMZXLKKWLS-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.28
Rot. Bonds6

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

1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine (PubChem CID 115959558) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
PubChem CID115959558
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
SMILESNCC(NCCC1CC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3/c17-14-6-5-13(16-12(14)2-1-8-20-16)15(10-18)19-9-7-11-3-4-11/h1-2,5-6,8,11,15,19H,3-4,7,9-10,18H2
InChIKeyPWQVYMZXLKKWLS-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.28
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-(2-cyclopropylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine (CID 115959558) is 1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine is NCC(NCCC1CC1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The InChIKey is PWQVYMZXLKKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-14-6-5-13(16-12(14)2-1-8-20-16)15(10-18)19-9-7-11-3-4-11/h1-2,5-6,8,11,15,19H,3-4,7,9-10,18H2.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine?
1-(5-chloroquinolin-8-yl)-N-(2-cyclopropylethyl)ethane-1,2-diamine has a molecular weight of 289.81 g/mol, XLogP of 3.28, 6 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-(2-cyclopropylethyl)ethane-1,2-diamine is sourced from PubChem (CID 115959558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).