6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline

C16H17N3O — CID 116804981

IUPAC6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline
SMILESCCCn1cc(OCc2ccc3ncccc3c2)cn1
InChIInChI=1S/C16H17N3O/c1-2-8-19-11-15(10-18-19)20-12-13-5-6-16-14(9-13)4-3-7-17-16/h3-7,9-11H,2,8,12H2,1H3
InChIKeyLVMLFMFPZCOEEN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds5

About 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline

6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline (PubChem CID 116804981) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline.

Molecular Properties

Compound Name6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline
PubChem CID116804981
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline
SMILESCCCn1cc(OCc2ccc3ncccc3c2)cn1
InChIInChI=1S/C16H17N3O/c1-2-8-19-11-15(10-18-19)20-12-13-5-6-16-14(9-13)4-3-7-17-16/h3-7,9-11H,2,8,12H2,1H3
InChIKeyLVMLFMFPZCOEEN-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
CID 116804581
2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
CID 107881276
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
CID 105351322
6-[(6-chloropyridazin-4-yl)oxymethyl]quinoline
CID 171090319
(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol
CID 78933378
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
2-[(1-propylpyrazol-4-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 116804906
4-propoxy-1-propylpyrazole
CID 116805185
5-[(1-ethylpyrazol-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 114013035
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158

Frequently Asked Questions

What is the IUPAC name of 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline?
The IUPAC name of 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline (CID 116804981) is 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline.
What is the SMILES notation for 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline?
The canonical SMILES for 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline is CCCn1cc(OCc2ccc3ncccc3c2)cn1.
What is the InChIKey of 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline?
The InChIKey is LVMLFMFPZCOEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-8-19-11-15(10-18-19)20-12-13-5-6-16-14(9-13)4-3-7-17-16/h3-7,9-11H,2,8,12H2,1H3.
What are the key properties of 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline?
6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline has a molecular weight of 267.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline is sourced from PubChem (CID 116804981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).