6-methoxy-4-(1H-pyrazol-4-yl)quinoline

C13H11N3O — CID 67260724

IUPAC6-methoxy-4-(1H-pyrazol-4-yl)quinoline
SMILESCOc1ccc2nccc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C13H11N3O/c1-17-10-2-3-13-12(6-10)11(4-5-14-13)9-7-15-16-8-9/h2-8H,1H3,(H,15,16)
InChIKeyGSIXCRONZZNBKB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 6-methoxy-4-(1H-pyrazol-4-yl)quinoline

6-methoxy-4-(1H-pyrazol-4-yl)quinoline (PubChem CID 67260724) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methoxy-4-(1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name6-methoxy-4-(1H-pyrazol-4-yl)quinoline
PubChem CID67260724
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-methoxy-4-(1H-pyrazol-4-yl)quinoline
SMILESCOc1ccc2nccc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C13H11N3O/c1-17-10-2-3-13-12(6-10)11(4-5-14-13)9-7-15-16-8-9/h2-8H,1H3,(H,15,16)
InChIKeyGSIXCRONZZNBKB-UHFFFAOYSA-N
XLogP2.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-methoxyquinolin-4-yl)-2-methylphenol
CID 70854482
5-methoxy-3-(1H-pyrazol-4-yl)-1H-indazole
CID 136964363
4-tert-butyl-6-methoxyquinoline
CID 58989607
ethyl formate;6-methoxy-4-phenylquinoline
CID 161481993
2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide
CID 59860158
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
6-(4-methoxyphenyl)quinolin-4-amine
CID 91074771
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745
3-iodo-2-(6-methoxyquinolin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163249855
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
6-methoxyquinoline-4-sulfonic acid
CID 119093175
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(1H-pyrazol-4-yl)quinoline?
The IUPAC name of 6-methoxy-4-(1H-pyrazol-4-yl)quinoline (CID 67260724) is 6-methoxy-4-(1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 6-methoxy-4-(1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 6-methoxy-4-(1H-pyrazol-4-yl)quinoline is COc1ccc2nccc(-c3cn[nH]c3)c2c1.
What is the InChIKey of 6-methoxy-4-(1H-pyrazol-4-yl)quinoline?
The InChIKey is GSIXCRONZZNBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-10-2-3-13-12(6-10)11(4-5-14-13)9-7-15-16-8-9/h2-8H,1H3,(H,15,16).
What are the key properties of 6-methoxy-4-(1H-pyrazol-4-yl)quinoline?
6-methoxy-4-(1H-pyrazol-4-yl)quinoline has a molecular weight of 225.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 67260724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).