7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine

C17H16N4O2 — CID 72714838

IUPAC7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine
SMILESCOc1cccc(Oc2ccc3c(c2)CC(N)c2nncn2-3)c1
InChIInChI=1S/C17H16N4O2/c1-22-12-3-2-4-13(9-12)23-14-5-6-16-11(7-14)8-15(18)17-20-19-10-21(16)17/h2-7,9-10,15H,8,18H2,1H3
InChIKeyVUOKVRGWZSAQBI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds3

About 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine

7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine (PubChem CID 72714838) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine.

Molecular Properties

Compound Name7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine
PubChem CID72714838
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine
SMILESCOc1cccc(Oc2ccc3c(c2)CC(N)c2nncn2-3)c1
InChIInChI=1S/C17H16N4O2/c1-22-12-3-2-4-13(9-12)23-14-5-6-16-11(7-14)8-15(18)17-20-19-10-21(16)17/h2-7,9-10,15H,8,18H2,1H3
InChIKeyVUOKVRGWZSAQBI-UHFFFAOYSA-N
XLogP2.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine?
The IUPAC name of 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine (CID 72714838) is 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine.
What is the SMILES notation for 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine?
The canonical SMILES for 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine is COc1cccc(Oc2ccc3c(c2)CC(N)c2nncn2-3)c1.
What is the InChIKey of 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine?
The InChIKey is VUOKVRGWZSAQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-12-3-2-4-13(9-12)23-14-5-6-16-11(7-14)8-15(18)17-20-19-10-21(16)17/h2-7,9-10,15H,8,18H2,1H3.
What are the key properties of 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine?
7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine has a molecular weight of 308.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine is sourced from PubChem (CID 72714838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).