N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C15H16N4O — CID 102609729

IUPACN-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccc2cc(CNCCc3ncno3)ccc2n1
InChIInChI=1S/C15H16N4O/c1-11-2-4-13-8-12(3-5-14(13)19-11)9-16-7-6-15-17-10-18-20-15/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyIOCHCLGWZFAVCN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 102609729) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID102609729
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccc2cc(CNCCc3ncno3)ccc2n1
InChIInChI=1S/C15H16N4O/c1-11-2-4-13-8-12(3-5-14(13)19-11)9-16-7-6-15-17-10-18-20-15/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeyIOCHCLGWZFAVCN-UHFFFAOYSA-N
XLogP2.26
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine with MolForge

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Related Compounds

N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-ethylsulfinyl-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378704
2-methoxy-4-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106400076
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103872079
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
1-(2-methylquinolin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 105378208

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 102609729) is N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is Cc1ccc2cc(CNCCc3ncno3)ccc2n1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is IOCHCLGWZFAVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-2-4-13-8-12(3-5-14(13)19-11)9-16-7-6-15-17-10-18-20-15/h2-5,8,10,16H,6-7,9H2,1H3.
What are the key properties of N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 102609729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).