5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C22H18N4O2 — CID 69454956

IUPAC5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(-c3ccc(CNCc4ccoc4)cc3)c3ccccc3n12
InChIInChI=1S/C22H18N4O2/c27-22-25-24-21-11-19(18-3-1-2-4-20(18)26(21)22)17-7-5-15(6-8-17)12-23-13-16-9-10-28-14-16/h1-11,14,23H,12-13H2,(H,25,27)
InChIKeyMCWJYXLAAVTILB-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.73
Rot. Bonds5

About 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69454956) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69454956
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(-c3ccc(CNCc4ccoc4)cc3)c3ccccc3n12
InChIInChI=1S/C22H18N4O2/c27-22-25-24-21-11-19(18-3-1-2-4-20(18)26(21)22)17-7-5-15(6-8-17)12-23-13-16-9-10-28-14-16/h1-11,14,23H,12-13H2,(H,25,27)
InChIKeyMCWJYXLAAVTILB-UHFFFAOYSA-N
XLogP3.73
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one with MolForge

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Related Compounds

8-(furan-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49864766
5-amino-8-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69453791
3-[1-(Furan-3-carbonyl)piperidin-4-YL]-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 91890658
5-{[1-(3-furylmethyl)piperidin-4-yl]methyl}-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56711330
5-(furan-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 11776928
N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
CID 69455602
5-[4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69455997
7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69456089
8-(furan-3-yl)-5-(morpholin-4-ylmethyl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69456092
5-[3-[(furan-3-ylmethylamino)methyl]-4-methoxyphenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69456558
8-(furan-2-yl)-5-phenyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69456681
5-[4-[(furan-2-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69457590

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69454956) is 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2cc(-c3ccc(CNCc4ccoc4)cc3)c3ccccc3n12.
What is the InChIKey of 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is MCWJYXLAAVTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22-25-24-21-11-19(18-3-1-2-4-20(18)26(21)22)17-7-5-15(6-8-17)12-23-13-16-9-10-28-14-16/h1-11,14,23H,12-13H2,(H,25,27).
What are the key properties of 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 370.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69454956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).