N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine

C22H18N4O — CID 141100231

IUPACN-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine
SMILESc1ccc2c(c1)c(-c1ccc(CNCc3ccoc3)cc1)cc1nncn12
InChIInChI=1S/C22H18N4O/c1-2-4-21-19(3-1)20(11-22-25-24-15-26(21)22)18-7-5-16(6-8-18)12-23-13-17-9-10-27-14-17/h1-11,14-15,23H,12-13H2
InChIKeyFLTWFTYKTHHNQP-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.43
Rot. Bonds5

About N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine

N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine (PubChem CID 141100231) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine
PubChem CID141100231
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine
SMILESc1ccc2c(c1)c(-c1ccc(CNCc3ccoc3)cc1)cc1nncn12
InChIInChI=1S/C22H18N4O/c1-2-4-21-19(3-1)20(11-22-25-24-15-26(21)22)18-7-5-16(6-8-18)12-23-13-17-9-10-27-14-17/h1-11,14-15,23H,12-13H2
InChIKeyFLTWFTYKTHHNQP-UHFFFAOYSA-N
XLogP4.43
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(furan-3-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454956
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
9-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 25186767
2-(benzotriazol-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62564068
4-[(furan-3-ylmethylamino)methyl]benzamide
CID 47272463
5-[4-[(oxolan-2-ylmethylamino)methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69453628
N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine
CID 64681981
N-(furan-3-ylmethyl)-1-(3-naphthalen-1-yloxyphenyl)methanamine
CID 167923420
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496
5-[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenyl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454036

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine (CID 141100231) is N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine is c1ccc2c(c1)c(-c1ccc(CNCc3ccoc3)cc1)cc1nncn12.
What is the InChIKey of N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine?
The InChIKey is FLTWFTYKTHHNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-2-4-21-19(3-1)20(11-22-25-24-15-26(21)22)18-7-5-16(6-8-18)12-23-13-17-9-10-27-14-17/h1-11,14-15,23H,12-13H2.
What are the key properties of N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine?
N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine has a molecular weight of 354.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-[4-([1,2,4]triazolo[4,3-a]quinolin-5-yl)phenyl]methanamine is sourced from PubChem (CID 141100231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).