2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine

C15H19ClN2O2 — CID 70990293

IUPAC2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine
SMILESCCOc1cc(OCCN(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C15H19ClN2O2/c1-4-19-13-10-14(20-9-8-18(2)3)17-15-11(13)6-5-7-12(15)16/h5-7,10H,4,8-9H2,1-3H3
InChIKeyBRFCPSFAUVHEBU-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.23
Rot. Bonds6

About 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine

2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine (PubChem CID 70990293) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine
PubChem CID70990293
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine
SMILESCCOc1cc(OCCN(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C15H19ClN2O2/c1-4-19-13-10-14(20-9-8-18(2)3)17-15-11(13)6-5-7-12(15)16/h5-7,10H,4,8-9H2,1-3H3
InChIKeyBRFCPSFAUVHEBU-UHFFFAOYSA-N
XLogP3.23
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine (CID 70990293) is 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine is CCOc1cc(OCCN(C)C)nc2c(Cl)cccc12.
What is the InChIKey of 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine?
The InChIKey is BRFCPSFAUVHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-19-13-10-14(20-9-8-18(2)3)17-15-11(13)6-5-7-12(15)16/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine?
2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine has a molecular weight of 294.78 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 70990293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).