3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol

C15H16N4O2 — CID 137417812

IUPAC3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol
SMILESNc1cc(OCCCO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O2/c16-15-9-14(21-7-1-6-20)11-3-2-10(8-13(11)18-15)12-4-5-17-19-12/h2-5,8-9,20H,1,6-7H2,(H2,16,18)(H,17,19)
InChIKeyJUNLEAMAYAGDIG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.97
Rot. Bonds5

About 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol

3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol (PubChem CID 137417812) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol
PubChem CID137417812
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol
SMILESNc1cc(OCCCO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H16N4O2/c16-15-9-14(21-7-1-6-20)11-3-2-10(8-13(11)18-15)12-4-5-17-19-12/h2-5,8-9,20H,1,6-7H2,(H2,16,18)(H,17,19)
InChIKeyJUNLEAMAYAGDIG-UHFFFAOYSA-N
XLogP1.97
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol (CID 137417812) is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol is Nc1cc(OCCCO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol?
The InChIKey is JUNLEAMAYAGDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-15-9-14(21-7-1-6-20)11-3-2-10(8-13(11)18-15)12-4-5-17-19-12/h2-5,8-9,20H,1,6-7H2,(H2,16,18)(H,17,19).
What are the key properties of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol?
3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol has a molecular weight of 284.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 137417812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).