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

C17H20N4O2 — CID 137417546

IUPAC3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H20N4O2/c1-17(2,9-22)10-23-15-8-16(18)20-14-7-11(3-4-12(14)15)13-5-6-19-21-13/h3-8,22H,9-10H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyNDCAFIWKCNBIFE-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.60
Rot. Bonds5

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

3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol (PubChem CID 137417546) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol
PubChem CID137417546
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1cc(N)nc2cc(-c3ccn[nH]3)ccc12
InChIInChI=1S/C17H20N4O2/c1-17(2,9-22)10-23-15-8-16(18)20-14-7-11(3-4-12(14)15)13-5-6-19-21-13/h3-8,22H,9-10H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyNDCAFIWKCNBIFE-UHFFFAOYSA-N
XLogP2.60
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol (CID 137417546) is 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1cc(N)nc2cc(-c3ccn[nH]3)ccc12.
What is the InChIKey of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol?
The InChIKey is NDCAFIWKCNBIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2,9-22)10-23-15-8-16(18)20-14-7-11(3-4-12(14)15)13-5-6-19-21-13/h3-8,22H,9-10H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol?
3-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]oxy-2,2-dimethylpropan-1-ol has a molecular weight of 312.37 g/mol, XLogP of 2.60, 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]oxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 137417546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).