N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine

C15H18Cl2N2O — CID 62598626

IUPACN-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine
SMILESCc1ccc2c(Cl)cc(Cl)c(OCCNC(C)C)c2n1
InChIInChI=1S/C15H18Cl2N2O/c1-9(2)18-6-7-20-15-13(17)8-12(16)11-5-4-10(3)19-14(11)15/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyAXBOVYSHAQHZCG-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.23
Rot. Bonds5

About N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine

N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine (PubChem CID 62598626) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine
PubChem CID62598626
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC NameN-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine
SMILESCc1ccc2c(Cl)cc(Cl)c(OCCNC(C)C)c2n1
InChIInChI=1S/C15H18Cl2N2O/c1-9(2)18-6-7-20-15-13(17)8-12(16)11-5-4-10(3)19-14(11)15/h4-5,8-9,18H,6-7H2,1-3H3
InChIKeyAXBOVYSHAQHZCG-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine?
The IUPAC name of N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine (CID 62598626) is N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine is Cc1ccc2c(Cl)cc(Cl)c(OCCNC(C)C)c2n1.
What is the InChIKey of N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine?
The InChIKey is AXBOVYSHAQHZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-9(2)18-6-7-20-15-13(17)8-12(16)11-5-4-10(3)19-14(11)15/h4-5,8-9,18H,6-7H2,1-3H3.
What are the key properties of N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine?
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine has a molecular weight of 313.23 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine is sourced from PubChem (CID 62598626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).