2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine

C14H17ClN2 — CID 82244742

IUPAC2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(C)ccc(Cl)c2cc1C
InChIInChI=1S/C14H17ClN2/c1-9-4-5-12(15)11-8-10(2)13(6-7-16-3)17-14(9)11/h4-5,8,16H,6-7H2,1-3H3
InChIKeyIZFDBHPAQQDQIA-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.27
Rot. Bonds3

About 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine

2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine (PubChem CID 82244742) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
PubChem CID82244742
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
SMILESCNCCc1nc2c(C)ccc(Cl)c2cc1C
InChIInChI=1S/C14H17ClN2/c1-9-4-5-12(15)11-8-10(2)13(6-7-16-3)17-14(9)11/h4-5,8,16H,6-7H2,1-3H3
InChIKeyIZFDBHPAQQDQIA-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine (CID 82244742) is 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine is CNCCc1nc2c(C)ccc(Cl)c2cc1C.
What is the InChIKey of 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine?
The InChIKey is IZFDBHPAQQDQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-4-5-12(15)11-8-10(2)13(6-7-16-3)17-14(9)11/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine?
2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine has a molecular weight of 248.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 82244742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).