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

C15H15N3O — CID 116804581

IUPAC6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
SMILESCCn1cc(OCc2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H15N3O/c1-2-18-10-14(9-17-18)19-11-12-5-6-15-13(8-12)4-3-7-16-15/h3-10H,2,11H2,1H3
InChIKeyFVNFYDMYPFEWNP-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.03
Rot. Bonds4

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

6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline (PubChem CID 116804581) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline.

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
PubChem CID116804581
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
SMILESCCn1cc(OCc2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H15N3O/c1-2-18-10-14(9-17-18)19-11-12-5-6-15-13(8-12)4-3-7-16-15/h3-10H,2,11H2,1H3
InChIKeyFVNFYDMYPFEWNP-UHFFFAOYSA-N
XLogP3.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline
CID 116804981
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
4-[(3-bromo-4-methoxyphenyl)methoxy]-1-ethylpyrazole
CID 116804533
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 116803349
(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol
CID 78933378
6-[(6-chloropyridazin-4-yl)oxymethyl]quinoline
CID 171090319
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
3-(quinolin-6-ylmethoxymethyl)pentan-3-amine
CID 64571432
[3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102774129

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline (CID 116804581) is 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline.
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline is CCn1cc(OCc2ccc3ncccc3c2)cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline?
The InChIKey is FVNFYDMYPFEWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-18-10-14(9-17-18)19-11-12-5-6-15-13(8-12)4-3-7-16-15/h3-10H,2,11H2,1H3.
What are the key properties of 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline?
6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline has a molecular weight of 253.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline is sourced from PubChem (CID 116804581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).