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

C16H18N4O2 — CID 137409067

IUPAC4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol
SMILESNc1cc(OCCCCO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N4O2/c17-16-10-15(22-8-2-1-7-21)12-4-3-11(9-14(12)19-16)13-5-6-18-20-13/h3-6,9-10,21H,1-2,7-8H2,(H2,17,19)(H,18,20)
InChIKeyLICMFVPXINFLNE-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.36
Rot. Bonds6

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

4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol (PubChem CID 137409067) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol.

Molecular Properties

Compound Name4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol
PubChem CID137409067
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol
SMILESNc1cc(OCCCCO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N4O2/c17-16-10-15(22-8-2-1-7-21)12-4-3-11(9-14(12)19-16)13-5-6-18-20-13/h3-6,9-10,21H,1-2,7-8H2,(H2,17,19)(H,18,20)
InChIKeyLICMFVPXINFLNE-UHFFFAOYSA-N
XLogP2.36
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.36
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 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol?
The IUPAC name of 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol (CID 137409067) is 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol.
What is the SMILES notation for 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol?
The canonical SMILES for 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol is Nc1cc(OCCCCO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol?
The InChIKey is LICMFVPXINFLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-16-10-15(22-8-2-1-7-21)12-4-3-11(9-14(12)19-16)13-5-6-18-20-13/h3-6,9-10,21H,1-2,7-8H2,(H2,17,19)(H,18,20).
What are the key properties of 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol?
4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol has a molecular weight of 298.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxybutan-1-ol is sourced from PubChem (CID 137409067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).