2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline

C16H17N3O2 — CID 54258111

IUPAC2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline
SMILESCOCOc1c(-c2ccc3ccccc3n2)c(C)nn1C
InChIInChI=1S/C16H17N3O2/c1-11-15(16(19(2)18-11)21-10-20-3)14-9-8-12-6-4-5-7-13(12)17-14/h4-9H,10H2,1-3H3
InChIKeyRBMQLJPMTHEFOG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.93
Rot. Bonds4

About 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline

2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline (PubChem CID 54258111) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline.

Molecular Properties

Compound Name2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline
PubChem CID54258111
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline
SMILESCOCOc1c(-c2ccc3ccccc3n2)c(C)nn1C
InChIInChI=1S/C16H17N3O2/c1-11-15(16(19(2)18-11)21-10-20-3)14-9-8-12-6-4-5-7-13(12)17-14/h4-9H,10H2,1-3H3
InChIKeyRBMQLJPMTHEFOG-UHFFFAOYSA-N
XLogP2.93
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,3,5-trimethylpyrazol-4-yl)quinoline
CID 123470704
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
4-(2,6-difluorophenyl)-5-ethoxy-1,3-dimethylpyrazole
CID 140655072
2-(5-methoxy-3-methyl-1-propylpyrazol-4-yl)pyridine
CID 170977985
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
CID 115395568
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
2-(2-methylcyclopenten-1-yl)quinoline
CID 70989557
1,3-dimethyl-5-quinolin-7-yloxypyrazole-4-carbaldehyde
CID 107314064
2-[3-methoxy-2-(2-methoxy-6-methylphenyl)phenyl]quinoline
CID 23528867

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline?
The IUPAC name of 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline (CID 54258111) is 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline.
What is the SMILES notation for 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline?
The canonical SMILES for 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline is COCOc1c(-c2ccc3ccccc3n2)c(C)nn1C.
What is the InChIKey of 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline?
The InChIKey is RBMQLJPMTHEFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-15(16(19(2)18-11)21-10-20-3)14-9-8-12-6-4-5-7-13(12)17-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline?
2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline has a molecular weight of 283.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethoxy)-1,3-dimethylpyrazol-4-yl]quinoline is sourced from PubChem (CID 54258111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).