8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine

C16H18N4O — CID 43588221

IUPAC8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine
SMILESCc1cc(CN(C)Cc2ccc(N)c3cccnc23)no1
InChIInChI=1S/C16H18N4O/c1-11-8-13(19-21-11)10-20(2)9-12-5-6-15(17)14-4-3-7-18-16(12)14/h3-8H,9-10,17H2,1-2H3
InChIKeyVEUFDDHVSUPRKZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.75
Rot. Bonds4

About 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine

8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine (PubChem CID 43588221) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine
PubChem CID43588221
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine
SMILESCc1cc(CN(C)Cc2ccc(N)c3cccnc23)no1
InChIInChI=1S/C16H18N4O/c1-11-8-13(19-21-11)10-20(2)9-12-5-6-15(17)14-4-3-7-18-16(12)14/h3-8H,9-10,17H2,1-2H3
InChIKeyVEUFDDHVSUPRKZ-UHFFFAOYSA-N
XLogP2.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine with MolForge

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Related Compounds

8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
N-methyl-1-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 36967982
1-(2,3-difluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 51079483
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 56812503
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
methyl 2-amino-6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzoate
CID 104824388
8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 91843166
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 115959257

Frequently Asked Questions

What is the IUPAC name of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine?
The IUPAC name of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine (CID 43588221) is 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine.
What is the SMILES notation for 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine?
The canonical SMILES for 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine is Cc1cc(CN(C)Cc2ccc(N)c3cccnc23)no1.
What is the InChIKey of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine?
The InChIKey is VEUFDDHVSUPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-8-13(19-21-11)10-20(2)9-12-5-6-15(17)14-4-3-7-18-16(12)14/h3-8H,9-10,17H2,1-2H3.
What are the key properties of 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine?
8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine has a molecular weight of 282.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine is sourced from PubChem (CID 43588221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).