2-azulen-2-yl-6,7-dimethoxyquinoline

C21H17NO2 — CID 10591430

IUPAC2-azulen-2-yl-6,7-dimethoxyquinoline
SMILESCOc1cc2ccc(-c3cc4cccccc-4c3)nc2cc1OC
InChIInChI=1S/C21H17NO2/c1-23-20-12-16-8-9-18(22-19(16)13-21(20)24-2)17-10-14-6-4-3-5-7-15(14)11-17/h3-13H,1-2H3
InChIKeyGJZIYTZNHINXIE-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.02
Rot. Bonds3

About 2-azulen-2-yl-6,7-dimethoxyquinoline

2-azulen-2-yl-6,7-dimethoxyquinoline (PubChem CID 10591430) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-azulen-2-yl-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name2-azulen-2-yl-6,7-dimethoxyquinoline
PubChem CID10591430
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-azulen-2-yl-6,7-dimethoxyquinoline
SMILESCOc1cc2ccc(-c3cc4cccccc-4c3)nc2cc1OC
InChIInChI=1S/C21H17NO2/c1-23-20-12-16-8-9-18(22-19(16)13-21(20)24-2)17-10-14-6-4-3-5-7-15(14)11-17/h3-13H,1-2H3
InChIKeyGJZIYTZNHINXIE-UHFFFAOYSA-N
XLogP5.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
CID 56596003
2-phenylbenzo[g]quinoline
CID 45113076
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
6,7-dimethoxy-2-tritioquinoline
CID 173196724
N-methyl-2-phenylquinolin-7-amine
CID 142776720
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
2-bromo-3-methoxy-6-phenylpyridine
CID 10869126
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301

Frequently Asked Questions

What is the IUPAC name of 2-azulen-2-yl-6,7-dimethoxyquinoline?
The IUPAC name of 2-azulen-2-yl-6,7-dimethoxyquinoline (CID 10591430) is 2-azulen-2-yl-6,7-dimethoxyquinoline.
What is the SMILES notation for 2-azulen-2-yl-6,7-dimethoxyquinoline?
The canonical SMILES for 2-azulen-2-yl-6,7-dimethoxyquinoline is COc1cc2ccc(-c3cc4cccccc-4c3)nc2cc1OC.
What is the InChIKey of 2-azulen-2-yl-6,7-dimethoxyquinoline?
The InChIKey is GJZIYTZNHINXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-23-20-12-16-8-9-18(22-19(16)13-21(20)24-2)17-10-14-6-4-3-5-7-15(14)11-17/h3-13H,1-2H3.
What are the key properties of 2-azulen-2-yl-6,7-dimethoxyquinoline?
2-azulen-2-yl-6,7-dimethoxyquinoline has a molecular weight of 315.37 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azulen-2-yl-6,7-dimethoxyquinoline is sourced from PubChem (CID 10591430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).