3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine

C14H18ClN3 — CID 82246617

IUPAC3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine
SMILESCc1nc2ccc(Cl)cc2c(N(C)C)c1CCN
InChIInChI=1S/C14H18ClN3/c1-9-11(6-7-16)14(18(2)3)12-8-10(15)4-5-13(12)17-9/h4-5,8H,6-7,16H2,1-3H3
InChIKeyUIVFKJYNIWKCNU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.76
Rot. Bonds3

About 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine

3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine (PubChem CID 82246617) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine
PubChem CID82246617
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine
SMILESCc1nc2ccc(Cl)cc2c(N(C)C)c1CCN
InChIInChI=1S/C14H18ClN3/c1-9-11(6-7-16)14(18(2)3)12-8-10(15)4-5-13(12)17-9/h4-5,8H,6-7,16H2,1-3H3
InChIKeyUIVFKJYNIWKCNU-UHFFFAOYSA-N
XLogP2.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine?
The IUPAC name of 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine (CID 82246617) is 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine.
What is the SMILES notation for 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine?
The canonical SMILES for 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine is Cc1nc2ccc(Cl)cc2c(N(C)C)c1CCN.
What is the InChIKey of 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine?
The InChIKey is UIVFKJYNIWKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-11(6-7-16)14(18(2)3)12-8-10(15)4-5-13(12)17-9/h4-5,8H,6-7,16H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine?
3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine has a molecular weight of 263.77 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6-chloro-N,N,2-trimethylquinolin-4-amine is sourced from PubChem (CID 82246617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).