6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine

C12H11FN2O — CID 612726

IUPAC6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESNc1c2c(nc3cccc(F)c13)OCCC2
InChIInChI=1S/C12H11FN2O/c13-8-4-1-5-9-10(8)11(14)7-3-2-6-16-12(7)15-9/h1,4-5H,2-3,6H2,(H2,14,15)
InChIKeyBXLXHYPSRHQACO-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.28
Rot. Bonds

About 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine

6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine (PubChem CID 612726) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine.

Molecular Properties

Compound Name6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
PubChem CID612726
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESNc1c2c(nc3cccc(F)c13)OCCC2
InChIInChI=1S/C12H11FN2O/c13-8-4-1-5-9-10(8)11(14)7-3-2-6-16-12(7)15-9/h1,4-5H,2-3,6H2,(H2,14,15)
InChIKeyBXLXHYPSRHQACO-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The IUPAC name of 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine (CID 612726) is 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine.
What is the SMILES notation for 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The canonical SMILES for 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine is Nc1c2c(nc3cccc(F)c13)OCCC2.
What is the InChIKey of 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The InChIKey is BXLXHYPSRHQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-8-4-1-5-9-10(8)11(14)7-3-2-6-16-12(7)15-9/h1,4-5H,2-3,6H2,(H2,14,15).
What are the key properties of 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine has a molecular weight of 218.23 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine is sourced from PubChem (CID 612726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).