6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline

C21H22N4 — CID 142202676

IUPAC6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline
SMILESCCCCCC(c1ccc2ncccc2c1)c1cc2ncccn2n1
InChIInChI=1S/C21H22N4/c1-2-3-4-8-18(20-15-21-23-12-6-13-25(21)24-20)16-9-10-19-17(14-16)7-5-11-22-19/h5-7,9-15,18H,2-4,8H2,1H3
InChIKeyBMUDGHXLPFPJNN-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.99
Rot. Bonds6

About 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline

6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline (PubChem CID 142202676) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline.

Molecular Properties

Compound Name6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline
PubChem CID142202676
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline
SMILESCCCCCC(c1ccc2ncccc2c1)c1cc2ncccn2n1
InChIInChI=1S/C21H22N4/c1-2-3-4-8-18(20-15-21-23-12-6-13-25(21)24-20)16-9-10-19-17(14-16)7-5-11-22-19/h5-7,9-15,18H,2-4,8H2,1H3
InChIKeyBMUDGHXLPFPJNN-UHFFFAOYSA-N
XLogP4.99
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-6-yldecan-1-amine
CID 63418413
1-quinolin-6-ylbutan-1-amine
CID 63095616
2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 59747998
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
(1S)-1-quinolin-7-ylnonan-1-ol
CID 15658090
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
6-decan-5-ylimidazo[1,2-b]pyridazine
CID 139513754
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105172398
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
6-oct-5-en-4-ylquinoline
CID 170319813
6-tridecoxyquinoline
CID 174908858

Frequently Asked Questions

What is the IUPAC name of 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline?
The IUPAC name of 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline (CID 142202676) is 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline.
What is the SMILES notation for 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline?
The canonical SMILES for 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline is CCCCCC(c1ccc2ncccc2c1)c1cc2ncccn2n1.
What is the InChIKey of 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline?
The InChIKey is BMUDGHXLPFPJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-3-4-8-18(20-15-21-23-12-6-13-25(21)24-20)16-9-10-19-17(14-16)7-5-11-22-19/h5-7,9-15,18H,2-4,8H2,1H3.
What are the key properties of 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline?
6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline has a molecular weight of 330.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-pyrazolo[1,5-a]pyrimidin-2-ylhexyl)quinoline is sourced from PubChem (CID 142202676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).