[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone

C21H19NO2 — CID 102035670

IUPAC[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone
SMILESC=C(CC)COc1ccccc1C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H19NO2/c1-3-15(2)14-24-19-12-5-4-10-17(19)21(23)18-11-6-8-16-9-7-13-22-20(16)18/h4-13H,2-3,14H2,1H3
InChIKeyGCBNEKXOJKKUNW-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.81
Rot. Bonds6

About [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone

[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone (PubChem CID 102035670) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone
PubChem CID102035670
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone
SMILESC=C(CC)COc1ccccc1C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H19NO2/c1-3-15(2)14-24-19-12-5-4-10-17(19)21(23)18-11-6-8-16-9-7-13-22-20(16)18/h4-13H,2-3,14H2,1H3
InChIKeyGCBNEKXOJKKUNW-UHFFFAOYSA-N
XLogP4.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline
CID 15268948
8-[2-(chloromethyl)prop-2-enoxy]quinoline
CID 103066009
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
2-quinolin-8-yloxyacetate
CID 6950984
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
CID 105121799
2-quinolin-8-yloxypentan-3-one
CID 64868229

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone?
The IUPAC name of [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone (CID 102035670) is [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone.
What is the SMILES notation for [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone?
The canonical SMILES for [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone is C=C(CC)COc1ccccc1C(=O)c1cccc2cccnc12.
What is the InChIKey of [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone?
The InChIKey is GCBNEKXOJKKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-3-15(2)14-24-19-12-5-4-10-17(19)21(23)18-11-6-8-16-9-7-13-22-20(16)18/h4-13H,2-3,14H2,1H3.
What are the key properties of [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone?
[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone is sourced from PubChem (CID 102035670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).