8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine

C13H15BrN2O — CID 110432998

IUPAC8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
SMILESCOCCNc1cc(C)nc2c(Br)cccc12
InChIInChI=1S/C13H15BrN2O/c1-9-8-12(15-6-7-17-2)10-4-3-5-11(14)13(10)16-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyDZTIHRMNHAMFNH-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.36
Rot. Bonds4

About 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine

8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine (PubChem CID 110432998) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
PubChem CID110432998
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine
SMILESCOCCNc1cc(C)nc2c(Br)cccc12
InChIInChI=1S/C13H15BrN2O/c1-9-8-12(15-6-7-17-2)10-4-3-5-11(14)13(10)16-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyDZTIHRMNHAMFNH-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.36
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 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
The IUPAC name of 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine (CID 110432998) is 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine.
What is the SMILES notation for 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
The canonical SMILES for 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine is COCCNc1cc(C)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
The InChIKey is DZTIHRMNHAMFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-8-12(15-6-7-17-2)10-4-3-5-11(14)13(10)16-9/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine has a molecular weight of 295.18 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(2-methoxyethyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 110432998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).