4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline

C18H19N3 — CID 171385206

IUPAC4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline
SMILESC=CCn1cc(-c2cc(C)c3cc(C)cc(C)c3n2)cn1
InChIInChI=1S/C18H19N3/c1-5-6-21-11-15(10-19-21)17-9-13(3)16-8-12(2)7-14(4)18(16)20-17/h5,7-11H,1,6H2,2-4H3
InChIKeyOXGUAYOPNDZVQJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.21
Rot. Bonds3

About 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline

4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline (PubChem CID 171385206) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline
PubChem CID171385206
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline
SMILESC=CCn1cc(-c2cc(C)c3cc(C)cc(C)c3n2)cn1
InChIInChI=1S/C18H19N3/c1-5-6-21-11-15(10-19-21)17-9-13(3)16-8-12(2)7-14(4)18(16)20-17/h5,7-11H,1,6H2,2-4H3
InChIKeyOXGUAYOPNDZVQJ-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4,6,8-trimethylquinolin-2-yl)methanamine
CID 82573618
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]pyrazol-4-amine
CID 82946594
2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
6,8-dimethyl-2-phenylquinolin-4-amine
CID 62201634
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 106878454
4-[6-amino-5-cyano-4-(1-prop-2-enylpyrazol-4-yl)-2-pyridinyl]benzoic acid
CID 56876008
6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220543
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756
5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 103570393

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline?
The IUPAC name of 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline (CID 171385206) is 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline?
The canonical SMILES for 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline is C=CCn1cc(-c2cc(C)c3cc(C)cc(C)c3n2)cn1.
What is the InChIKey of 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline?
The InChIKey is OXGUAYOPNDZVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-5-6-21-11-15(10-19-21)17-9-13(3)16-8-12(2)7-14(4)18(16)20-17/h5,7-11H,1,6H2,2-4H3.
What are the key properties of 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline?
4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline has a molecular weight of 277.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-2-(1-prop-2-enylpyrazol-4-yl)quinoline is sourced from PubChem (CID 171385206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).