5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine

C13H12N4O — CID 82084486

IUPAC5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine
SMILESNc1cc(COc2cccc3cccnc23)[nH]n1
InChIInChI=1S/C13H12N4O/c14-12-7-10(16-17-12)8-18-11-5-1-3-9-4-2-6-15-13(9)11/h1-7H,8H2,(H3,14,16,17)
InChIKeyNGDFLVGAJHNFDG-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.12
Rot. Bonds3

About 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine

5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine (PubChem CID 82084486) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine
PubChem CID82084486
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine
SMILESNc1cc(COc2cccc3cccnc23)[nH]n1
InChIInChI=1S/C13H12N4O/c14-12-7-10(16-17-12)8-18-11-5-1-3-9-4-2-6-15-13(9)11/h1-7H,8H2,(H3,14,16,17)
InChIKeyNGDFLVGAJHNFDG-UHFFFAOYSA-N
XLogP2.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-quinolin-8-yloxyethyl)-1H-pyrazol-3-amine
CID 82088442
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
CID 117215893
8-[2-(5-methyl-1H-pyrazol-3-yl)ethoxy]quinoline
CID 82088189
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172
[2-(quinolin-8-yloxymethyl)phenyl]methanamine
CID 28824796
4-ethyl-3-(quinolin-8-yloxymethyl)-1H-1,2,4-triazol-5-one
CID 139221040
2-quinolin-8-yloxyethanamine
CID 17174906
2-quinolin-8-yloxyacetate
CID 6950984
8-(chloromethoxy)quinoline
CID 79531226
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
4,6-dimethyl-N-[5-(quinolin-8-yloxymethyl)-1H-1,2,4-triazol-3-yl]pyrimidin-2-amine
CID 934695

Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine (CID 82084486) is 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine is Nc1cc(COc2cccc3cccnc23)[nH]n1.
What is the InChIKey of 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine?
The InChIKey is NGDFLVGAJHNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-12-7-10(16-17-12)8-18-11-5-1-3-9-4-2-6-15-13(9)11/h1-7H,8H2,(H3,14,16,17).
What are the key properties of 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine?
5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine has a molecular weight of 240.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82084486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).