1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C14H18N4O — CID 106392909

IUPAC1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCN1CCCc2cc(CNCc3ncon3)ccc21
InChIInChI=1S/C14H18N4O/c1-18-6-2-3-12-7-11(4-5-13(12)18)8-15-9-14-16-10-19-17-14/h4-5,7,10,15H,2-3,6,8-9H2,1H3
InChIKeyPNWAKLRMDNJMTQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds4

About 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106392909) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106392909
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCN1CCCc2cc(CNCc3ncon3)ccc21
InChIInChI=1S/C14H18N4O/c1-18-6-2-3-12-7-11(4-5-13(12)18)8-15-9-14-16-10-19-17-14/h4-5,7,10,15H,2-3,6,8-9H2,1H3
InChIKeyPNWAKLRMDNJMTQ-UHFFFAOYSA-N
XLogP1.74
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 78983738
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884310
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699033
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 62096870
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
CID 62094966
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106392909) is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is CN1CCCc2cc(CNCc3ncon3)ccc21.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is PNWAKLRMDNJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-6-2-3-12-7-11(4-5-13(12)18)8-15-9-14-16-10-19-17-14/h4-5,7,10,15H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106392909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).