6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine

C17H16F2N2O2 — CID 133494069

IUPAC6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine
SMILESCOCC(Nc1ccnc2c(F)cc(F)cc12)c1ccc(C)o1
InChIInChI=1S/C17H16F2N2O2/c1-10-3-4-16(23-10)15(9-22-2)21-14-5-6-20-17-12(14)7-11(18)8-13(17)19/h3-8,15H,9H2,1-2H3,(H,20,21)
InChIKeyPAZTWQKLRFPROQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP4.21
Rot. Bonds5

About 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine

6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine (PubChem CID 133494069) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine
PubChem CID133494069
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine
SMILESCOCC(Nc1ccnc2c(F)cc(F)cc12)c1ccc(C)o1
InChIInChI=1S/C17H16F2N2O2/c1-10-3-4-16(23-10)15(9-22-2)21-14-5-6-20-17-12(14)7-11(18)8-13(17)19/h3-8,15H,9H2,1-2H3,(H,20,21)
InChIKeyPAZTWQKLRFPROQ-UHFFFAOYSA-N
XLogP4.21
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine?
The IUPAC name of 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine (CID 133494069) is 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine is COCC(Nc1ccnc2c(F)cc(F)cc12)c1ccc(C)o1.
What is the InChIKey of 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine?
The InChIKey is PAZTWQKLRFPROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10-3-4-16(23-10)15(9-22-2)21-14-5-6-20-17-12(14)7-11(18)8-13(17)19/h3-8,15H,9H2,1-2H3,(H,20,21).
What are the key properties of 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine?
6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine has a molecular weight of 318.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133494069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).