5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine

C15H17N5O — CID 116524713

IUPAC5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine
SMILESCC(C)n1ncnc1COc1ccc(N)c2ncccc12
InChIInChI=1S/C15H17N5O/c1-10(2)20-14(18-9-19-20)8-21-13-6-5-12(16)15-11(13)4-3-7-17-15/h3-7,9-10H,8,16H2,1-2H3
InChIKeyASRFTNGLBVCNRT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.57
Rot. Bonds4

About 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine

5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine (PubChem CID 116524713) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine.

Molecular Properties

Compound Name5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine
PubChem CID116524713
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine
SMILESCC(C)n1ncnc1COc1ccc(N)c2ncccc12
InChIInChI=1S/C15H17N5O/c1-10(2)20-14(18-9-19-20)8-21-13-6-5-12(16)15-11(13)4-3-7-17-15/h3-7,9-10H,8,16H2,1-2H3
InChIKeyASRFTNGLBVCNRT-UHFFFAOYSA-N
XLogP2.57
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-propan-2-yloxyquinolin-8-amine
CID 43449641
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
5-(thiophen-3-ylmethoxy)quinolin-8-amine
CID 116524803
5-[(2,5-dimethylphenyl)methoxy]quinolin-8-amine
CID 116524807
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
5-(8-aminoquinolin-5-yl)oxypentanenitrile
CID 116524781
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416663

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine?
The IUPAC name of 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine (CID 116524713) is 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine.
What is the SMILES notation for 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine?
The canonical SMILES for 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine is CC(C)n1ncnc1COc1ccc(N)c2ncccc12.
What is the InChIKey of 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine?
The InChIKey is ASRFTNGLBVCNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(2)20-14(18-9-19-20)8-21-13-6-5-12(16)15-11(13)4-3-7-17-15/h3-7,9-10H,8,16H2,1-2H3.
What are the key properties of 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine?
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine has a molecular weight of 283.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine is sourced from PubChem (CID 116524713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).