8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C19H18N4O3 — CID 69456092

IUPAC8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CN3CCOCC3)c3ccc(-c4ccoc4)cc3n12
InChIInChI=1S/C19H18N4O3/c24-19-21-20-18-10-15(11-22-4-7-25-8-5-22)16-2-1-13(9-17(16)23(18)19)14-3-6-26-12-14/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,21,24)
InChIKeyJORPYFXHNNHRER-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.27
Rot. Bonds3

About 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69456092) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69456092
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CN3CCOCC3)c3ccc(-c4ccoc4)cc3n12
InChIInChI=1S/C19H18N4O3/c24-19-21-20-18-10-15(11-22-4-7-25-8-5-22)16-2-1-13(9-17(16)23(18)19)14-3-6-26-12-14/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,21,24)
InChIKeyJORPYFXHNNHRER-UHFFFAOYSA-N
XLogP2.27
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69456092) is 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2cc(CN3CCOCC3)c3ccc(-c4ccoc4)cc3n12.
What is the InChIKey of 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is JORPYFXHNNHRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-19-21-20-18-10-15(11-22-4-7-25-8-5-22)16-2-1-13(9-17(16)23(18)19)14-3-6-26-12-14/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,21,24).
What are the key properties of 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 350.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69456092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).