6-methoxy-3-(1H-pyrazol-5-yl)quinoline

C13H11N3O — CID 50962357

IUPAC6-methoxy-3-(1H-pyrazol-5-yl)quinoline
SMILESCOc1ccc2ncc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C13H11N3O/c1-17-11-2-3-12-9(7-11)6-10(8-14-12)13-4-5-15-16-13/h2-8H,1H3,(H,15,16)
InChIKeyUCGIJQDSZUKPLD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.63
Rot. Bonds2

About 6-methoxy-3-(1H-pyrazol-5-yl)quinoline

6-methoxy-3-(1H-pyrazol-5-yl)quinoline (PubChem CID 50962357) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methoxy-3-(1H-pyrazol-5-yl)quinoline.

Molecular Properties

Compound Name6-methoxy-3-(1H-pyrazol-5-yl)quinoline
PubChem CID50962357
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-methoxy-3-(1H-pyrazol-5-yl)quinoline
SMILESCOc1ccc2ncc(-c3ccn[nH]3)cc2c1
InChIInChI=1S/C13H11N3O/c1-17-11-2-3-12-9(7-11)6-10(8-14-12)13-4-5-15-16-13/h2-8H,1H3,(H,15,16)
InChIKeyUCGIJQDSZUKPLD-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

3-(1H-pyrazol-5-yl)quinoline
CID 22660698
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116
(6-methoxyquinolin-3-yl)-trimethylstannane;(7-methoxyquinolin-3-yl)-trimethylstannane
CID 67836027
ethane;(6-methoxyquinolin-3-yl)methanol
CID 174710700
6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
CID 56865850
5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole
CID 57232004
6-methoxy-9-(2-methyl-4-pyridinyl)-1H-diazonine
CID 123778324
2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 130977878
ethene;6-methoxyquinoline
CID 174599262
6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione
CID 116900649
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724
(6-methoxyquinolin-3-yl)carbamic acid
CID 22326813

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1H-pyrazol-5-yl)quinoline?
The IUPAC name of 6-methoxy-3-(1H-pyrazol-5-yl)quinoline (CID 50962357) is 6-methoxy-3-(1H-pyrazol-5-yl)quinoline.
What is the SMILES notation for 6-methoxy-3-(1H-pyrazol-5-yl)quinoline?
The canonical SMILES for 6-methoxy-3-(1H-pyrazol-5-yl)quinoline is COc1ccc2ncc(-c3ccn[nH]3)cc2c1.
What is the InChIKey of 6-methoxy-3-(1H-pyrazol-5-yl)quinoline?
The InChIKey is UCGIJQDSZUKPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-11-2-3-12-9(7-11)6-10(8-14-12)13-4-5-15-16-13/h2-8H,1H3,(H,15,16).
What are the key properties of 6-methoxy-3-(1H-pyrazol-5-yl)quinoline?
6-methoxy-3-(1H-pyrazol-5-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-3-(1H-pyrazol-5-yl)quinoline is sourced from PubChem (CID 50962357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).