2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine

C15H18F2N2O — CID 62890532

IUPAC2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(F)F)nc2c(OC)ccc(C)c12
InChIInChI=1S/C15H18F2N2O/c1-4-7-18-10-8-11(15(16)17)19-14-12(20-3)6-5-9(2)13(10)14/h5-6,8,15H,4,7H2,1-3H3,(H,18,19)
InChIKeyLSQJIMPRKZTYNC-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.31
Rot. Bonds5

About 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine

2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine (PubChem CID 62890532) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
PubChem CID62890532
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C(F)F)nc2c(OC)ccc(C)c12
InChIInChI=1S/C15H18F2N2O/c1-4-7-18-10-8-11(15(16)17)19-14-12(20-3)6-5-9(2)13(10)14/h5-6,8,15H,4,7H2,1-3H3,(H,18,19)
InChIKeyLSQJIMPRKZTYNC-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine (CID 62890532) is 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine is CCCNc1cc(C(F)F)nc2c(OC)ccc(C)c12.
What is the InChIKey of 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine?
The InChIKey is LSQJIMPRKZTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-4-7-18-10-8-11(15(16)17)19-14-12(20-3)6-5-9(2)13(10)14/h5-6,8,15H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine?
2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine has a molecular weight of 280.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 62890532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).