6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline

C17H14N4 — CID 155500147

IUPAC6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline
SMILESCc1nc2ccnn2c(-c2ccc3ncccc3c2)c1C
InChIInChI=1S/C17H14N4/c1-11-12(2)20-16-7-9-19-21(16)17(11)14-5-6-15-13(10-14)4-3-8-18-15/h3-10H,1-2H3
InChIKeyVRYLYOZEVODLNL-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.56
Rot. Bonds1

About 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline

6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline (PubChem CID 155500147) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline.

Molecular Properties

Compound Name6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline
PubChem CID155500147
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline
SMILESCc1nc2ccnn2c(-c2ccc3ncccc3c2)c1C
InChIInChI=1S/C17H14N4/c1-11-12(2)20-16-7-9-19-21(16)17(11)14-5-6-15-13(10-14)4-3-8-18-15/h3-10H,1-2H3
InChIKeyVRYLYOZEVODLNL-UHFFFAOYSA-N
XLogP3.56
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylphenyl)quinoline
CID 4185278
6-methylquinoline
CID 7059
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318
6-(1H-azirin-2-yl)quinoline
CID 146540612
6-[2-(4-methylphenyl)ethynyl]quinoline
CID 58362500
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
2-quinolin-6-yl-4,5-dihydro-1,3-oxazole
CID 174566262
quinoline;tetramethylsilane
CID 91292784
6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
CID 115393947
N,4,5-trimethyl-6-quinolin-6-ylpyridazin-3-amine
CID 81221120

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline?
The IUPAC name of 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline (CID 155500147) is 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline.
What is the SMILES notation for 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline?
The canonical SMILES for 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline is Cc1nc2ccnn2c(-c2ccc3ncccc3c2)c1C.
What is the InChIKey of 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline?
The InChIKey is VRYLYOZEVODLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-12(2)20-16-7-9-19-21(16)17(11)14-5-6-15-13(10-14)4-3-8-18-15/h3-10H,1-2H3.
What are the key properties of 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline?
6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline has a molecular weight of 274.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)quinoline is sourced from PubChem (CID 155500147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).