[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine

C16H18N4O — CID 116800179

IUPAC[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
SMILESCC(C)n1cc(Oc2cc(CN)c3ccccc3n2)cn1
InChIInChI=1S/C16H18N4O/c1-11(2)20-10-13(9-18-20)21-16-7-12(8-17)14-5-3-4-6-15(14)19-16/h3-7,9-11H,8,17H2,1-2H3
InChIKeyOTJOHCBFOHAQEZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.26
Rot. Bonds4

About [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine

[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine (PubChem CID 116800179) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
PubChem CID116800179
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
SMILESCC(C)n1cc(Oc2cc(CN)c3ccccc3n2)cn1
InChIInChI=1S/C16H18N4O/c1-11(2)20-10-13(9-18-20)21-16-7-12(8-17)14-5-3-4-6-15(14)19-16/h3-7,9-11H,8,17H2,1-2H3
InChIKeyOTJOHCBFOHAQEZ-UHFFFAOYSA-N
XLogP3.26
TPSA65.96 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125
[2-(1-methylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116793268
[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
CID 63647372
[2-(1-propylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116802650
[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62296104
1-[2-(1-ethylpyrazol-4-yl)oxyquinolin-4-yl]-N-methylmethanamine
CID 116802845
[2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazol-4-yl]methanamine
CID 116803107
6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine
CID 116806487
4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
CID 116801257
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
CID 106446681
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334

Frequently Asked Questions

What is the IUPAC name of [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine?
The IUPAC name of [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine (CID 116800179) is [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine.
What is the SMILES notation for [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine?
The canonical SMILES for [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine is CC(C)n1cc(Oc2cc(CN)c3ccccc3n2)cn1.
What is the InChIKey of [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine?
The InChIKey is OTJOHCBFOHAQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(2)20-10-13(9-18-20)21-16-7-12(8-17)14-5-3-4-6-15(14)19-16/h3-7,9-11H,8,17H2,1-2H3.
What are the key properties of [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine?
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine has a molecular weight of 282.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine is sourced from PubChem (CID 116800179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).