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

C16H20ClN3 — CID 115959533

IUPAC1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3/c1-20(10-11-4-5-11)15(9-18)13-6-7-14(17)12-3-2-8-19-16(12)13/h2-3,6-8,11,15H,4-5,9-10,18H2,1H3
InChIKeyCAWYAUFQJVGQLU-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.23
Rot. Bonds5

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

1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine (PubChem CID 115959533) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
PubChem CID115959533
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CC1)C(CN)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3/c1-20(10-11-4-5-11)15(9-18)13-6-7-14(17)12-3-2-8-19-16(12)13/h2-3,6-8,11,15H,4-5,9-10,18H2,1H3
InChIKeyCAWYAUFQJVGQLU-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine (CID 115959533) is 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine is CN(CC1CC1)C(CN)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is CAWYAUFQJVGQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20(10-11-4-5-11)15(9-18)13-6-7-14(17)12-3-2-8-19-16(12)13/h2-3,6-8,11,15H,4-5,9-10,18H2,1H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine?
1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 289.81 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 115959533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).