7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine

C17H16N6O — CID 137417545

IUPAC7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine
SMILESNc1cc(OCCn2cccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H16N6O/c18-17-11-16(24-9-8-23-7-1-5-20-23)13-3-2-12(10-15(13)21-17)14-4-6-19-22-14/h1-7,10-11H,8-9H2,(H2,18,21)(H,19,22)
InChIKeyOLWLBHZQVXNDJN-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.48
Rot. Bonds5

About 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine

7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine (PubChem CID 137417545) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine
PubChem CID137417545
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine
SMILESNc1cc(OCCn2cccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H16N6O/c18-17-11-16(24-9-8-23-7-1-5-20-23)13-3-2-12(10-15(13)21-17)14-4-6-19-22-14/h1-7,10-11H,8-9H2,(H2,18,21)(H,19,22)
InChIKeyOLWLBHZQVXNDJN-UHFFFAOYSA-N
XLogP2.48
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine?
The IUPAC name of 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine (CID 137417545) is 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine?
The canonical SMILES for 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine is Nc1cc(OCCn2cccn2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine?
The InChIKey is OLWLBHZQVXNDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-17-11-16(24-9-8-23-7-1-5-20-23)13-3-2-12(10-15(13)21-17)14-4-6-19-22-14/h1-7,10-11H,8-9H2,(H2,18,21)(H,19,22).
What are the key properties of 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine?
7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine has a molecular weight of 320.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)-4-(2-pyrazol-1-ylethoxy)quinolin-2-amine is sourced from PubChem (CID 137417545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).