7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine

C13H14F2N2O — CID 133499890

IUPAC7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine
SMILESCOCCNc1cc(C)nc2c(F)c(F)ccc12
InChIInChI=1S/C13H14F2N2O/c1-8-7-11(16-5-6-18-2)9-3-4-10(14)12(15)13(9)17-8/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyHZWXQGMGLQWGDW-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.88
Rot. Bonds4

About 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine

7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine (PubChem CID 133499890) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine
PubChem CID133499890
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine
SMILESCOCCNc1cc(C)nc2c(F)c(F)ccc12
InChIInChI=1S/C13H14F2N2O/c1-8-7-11(16-5-6-18-2)9-3-4-10(14)12(15)13(9)17-8/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyHZWXQGMGLQWGDW-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.88
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 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
The IUPAC name of 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine (CID 133499890) is 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine.
What is the SMILES notation for 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
The canonical SMILES for 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine is COCCNc1cc(C)nc2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
The InChIKey is HZWXQGMGLQWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8-7-11(16-5-6-18-2)9-3-4-10(14)12(15)13(9)17-8/h3-4,7H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine?
7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine has a molecular weight of 252.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 133499890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).