6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline

C21H15NO2 — CID 10662996

IUPAC6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline
SMILESCc1cc(-c2ccc3cc4c(cc3n2)OCO4)c2cccccc1-2
InChIInChI=1S/C21H15NO2/c1-13-9-17(16-6-4-2-3-5-15(13)16)18-8-7-14-10-20-21(24-12-23-20)11-19(14)22-18/h2-11H,12H2,1H3
InChIKeyXXLNCFUEBQUFKR-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.04
Rot. Bonds1

About 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline

6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 10662996) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline
PubChem CID10662996
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline
SMILESCc1cc(-c2ccc3cc4c(cc3n2)OCO4)c2cccccc1-2
InChIInChI=1S/C21H15NO2/c1-13-9-17(16-6-4-2-3-5-15(13)16)18-8-7-14-10-20-21(24-12-23-20)11-19(14)22-18/h2-11H,12H2,1H3
InChIKeyXXLNCFUEBQUFKR-UHFFFAOYSA-N
XLogP5.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline
CID 141339139
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
4,5,10,11-tetramethyl-19,21-dioxahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1,3,5,7,9,11,13,15,17,22,24-undecaene
CID 11773352
benzene;1,3-benzodioxole
CID 158998325
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 1176252
3-(1,3-benzodioxol-5-yl)-4,7-phenanthroline
CID 71482313
1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 19894451
2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 8966777
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium
CID 123457115

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline (CID 10662996) is 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline is Cc1cc(-c2ccc3cc4c(cc3n2)OCO4)c2cccccc1-2.
What is the InChIKey of 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is XXLNCFUEBQUFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-13-9-17(16-6-4-2-3-5-15(13)16)18-8-7-14-10-20-21(24-12-23-20)11-19(14)22-18/h2-11H,12H2,1H3.
What are the key properties of 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline?
6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 313.36 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylazulen-1-yl)-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 10662996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).