5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine

C16H13F2N3 — CID 155778631

IUPAC5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine
SMILESCCc1nc(N)ccc1-c1c(F)ccc2cc(F)cnc12
InChIInChI=1S/C16H13F2N3/c1-2-13-11(4-6-14(19)21-13)15-12(18)5-3-9-7-10(17)8-20-16(9)15/h3-8H,2H2,1H3,(H2,19,21)
InChIKeyLLPFWSRPUDXKMW-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.72
Rot. Bonds2

About 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine

5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine (PubChem CID 155778631) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine
PubChem CID155778631
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine
SMILESCCc1nc(N)ccc1-c1c(F)ccc2cc(F)cnc12
InChIInChI=1S/C16H13F2N3/c1-2-13-11(4-6-14(19)21-13)15-12(18)5-3-9-7-10(17)8-20-16(9)15/h3-8H,2H2,1H3,(H2,19,21)
InChIKeyLLPFWSRPUDXKMW-UHFFFAOYSA-N
XLogP3.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine?
The IUPAC name of 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine (CID 155778631) is 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine.
What is the SMILES notation for 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine?
The canonical SMILES for 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine is CCc1nc(N)ccc1-c1c(F)ccc2cc(F)cnc12.
What is the InChIKey of 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine?
The InChIKey is LLPFWSRPUDXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-2-13-11(4-6-14(19)21-13)15-12(18)5-3-9-7-10(17)8-20-16(9)15/h3-8H,2H2,1H3,(H2,19,21).
What are the key properties of 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine?
5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine has a molecular weight of 285.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-difluoroquinolin-8-yl)-6-ethylpyridin-2-amine is sourced from PubChem (CID 155778631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).