4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile

C16H14N4O — CID 116801257

IUPAC4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
SMILESCC(C)n1cc(Oc2c(C#N)cnc3ccccc23)cn1
InChIInChI=1S/C16H14N4O/c1-11(2)20-10-13(9-19-20)21-16-12(7-17)8-18-15-6-4-3-5-14(15)16/h3-6,8-11H,1-2H3
InChIKeyRLAIUWXBTQFILO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.68
Rot. Bonds3

About 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile

4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile (PubChem CID 116801257) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
PubChem CID116801257
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
SMILESCC(C)n1cc(Oc2c(C#N)cnc3ccccc23)cn1
InChIInChI=1S/C16H14N4O/c1-11(2)20-10-13(9-19-20)21-16-12(7-17)8-18-15-6-4-3-5-14(15)16/h3-6,8-11H,1-2H3
InChIKeyRLAIUWXBTQFILO-UHFFFAOYSA-N
XLogP3.68
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
CID 43669207
4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
CID 62783932
4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile
CID 63512577
4-(2-iodophenoxy)quinoline-3-carbonitrile
CID 43669253
4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
CID 106447581
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzonitrile
CID 114891103
6-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-5-amine
CID 116800507
4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
CID 61103055
6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
CID 116801270
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile?
The IUPAC name of 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile (CID 116801257) is 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile is CC(C)n1cc(Oc2c(C#N)cnc3ccccc23)cn1.
What is the InChIKey of 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile?
The InChIKey is RLAIUWXBTQFILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(2)20-10-13(9-19-20)21-16-12(7-17)8-18-15-6-4-3-5-14(15)16/h3-6,8-11H,1-2H3.
What are the key properties of 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile?
4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile is sourced from PubChem (CID 116801257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).