[(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

C18H15FN2O — CID 95200928

IUPAC[(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(F)cc(-c3cnc4ccccc4c3)c2O1
InChIInChI=1S/C18H15FN2O/c19-14-6-12-7-15(9-20)22-18(12)16(8-14)13-5-11-3-1-2-4-17(11)21-10-13/h1-6,8,10,15H,7,9,20H2/t15-/m1/s1
InChIKeyLWNMFLXZULQSHT-OAHLLOKOSA-N
MW294.33 g/mol
LogP3.30
Rot. Bonds2

About [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95200928) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95200928
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name[(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNC[C@H]1Cc2cc(F)cc(-c3cnc4ccccc4c3)c2O1
InChIInChI=1S/C18H15FN2O/c19-14-6-12-7-15(9-20)22-18(12)16(8-14)13-5-11-3-1-2-4-17(11)21-10-13/h1-6,8,10,15H,7,9,20H2/t15-/m1/s1
InChIKeyLWNMFLXZULQSHT-OAHLLOKOSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95200928) is [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is NC[C@H]1Cc2cc(F)cc(-c3cnc4ccccc4c3)c2O1.
What is the InChIKey of [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is LWNMFLXZULQSHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-14-6-12-7-15(9-20)22-18(12)16(8-14)13-5-11-3-1-2-4-17(11)21-10-13/h1-6,8,10,15H,7,9,20H2/t15-/m1/s1.
What are the key properties of [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 294.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-fluoro-7-quinolin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95200928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).