N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine

C14H18N4O — CID 80648714

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
SMILESCc1noc(CNCc2cccc3c2NCCC3)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(19-18-10)9-15-8-12-5-2-4-11-6-3-7-16-14(11)12/h2,4-5,15-16H,3,6-9H2,1H3
InChIKeyKDVKZXSUBCWNEO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.03
Rot. Bonds4

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine (PubChem CID 80648714) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
PubChem CID80648714
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
SMILESCc1noc(CNCc2cccc3c2NCCC3)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(19-18-10)9-15-8-12-5-2-4-11-6-3-7-16-14(11)12/h2,4-5,15-16H,3,6-9H2,1H3
InChIKeyKDVKZXSUBCWNEO-UHFFFAOYSA-N
XLogP2.03
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine with MolForge

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Related Compounds

2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-methylpyrimidin-4-yl)methanamine
CID 80648880
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
CID 102537319
1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903708
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine
CID 80649623
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648893
1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
3-[(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)methyl]cyclobutan-1-ol
CID 80649380
1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 80649049

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine (CID 80648714) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine is Cc1noc(CNCc2cccc3c2NCCC3)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is KDVKZXSUBCWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-17-13(19-18-10)9-15-8-12-5-2-4-11-6-3-7-16-14(11)12/h2,4-5,15-16H,3,6-9H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 80648714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).