8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C14H17N3O — CID 54909171

IUPAC8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCn1cc(COc2cccc3c2NCCC3)cn1
InChIInChI=1S/C14H17N3O/c1-17-9-11(8-16-17)10-18-13-6-2-4-12-5-3-7-15-14(12)13/h2,4,6,8-9,15H,3,5,7,10H2,1H3
InChIKeyNSPQQNYCUIAPHZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.36
Rot. Bonds3

About 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline

8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 54909171) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID54909171
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCn1cc(COc2cccc3c2NCCC3)cn1
InChIInChI=1S/C14H17N3O/c1-17-9-11(8-16-17)10-18-13-6-2-4-12-5-3-7-15-14(12)13/h2,4,6,8-9,15H,3,5,7,10H2,1H3
InChIKeyNSPQQNYCUIAPHZ-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 54909125
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170
5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole
CID 54909082
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 63423959
methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368851
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
8-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075706
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 54909171) is 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline is Cn1cc(COc2cccc3c2NCCC3)cn1.
What is the InChIKey of 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is NSPQQNYCUIAPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-9-11(8-16-17)10-18-13-6-2-4-12-5-3-7-15-14(12)13/h2,4,6,8-9,15H,3,5,7,10H2,1H3.
What are the key properties of 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 54909171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).