2-ethyl-7-(6-ethylquinolin-2-yl)quinoline

C22H20N2 — CID 165093087

IUPAC2-ethyl-7-(6-ethylquinolin-2-yl)quinoline
SMILESCCc1ccc2nc(-c3ccc4ccc(CC)nc4c3)ccc2c1
InChIInChI=1S/C22H20N2/c1-3-15-5-11-20-17(13-15)9-12-21(24-20)18-7-6-16-8-10-19(4-2)23-22(16)14-18/h5-14H,3-4H2,1-2H3
InChIKeyNPUNTAPCCHZICS-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.57
Rot. Bonds3

About 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline

2-ethyl-7-(6-ethylquinolin-2-yl)quinoline (PubChem CID 165093087) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline.

Molecular Properties

Compound Name2-ethyl-7-(6-ethylquinolin-2-yl)quinoline
PubChem CID165093087
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-ethyl-7-(6-ethylquinolin-2-yl)quinoline
SMILESCCc1ccc2nc(-c3ccc4ccc(CC)nc4c3)ccc2c1
InChIInChI=1S/C22H20N2/c1-3-15-5-11-20-17(13-15)9-12-21(24-20)18-7-6-16-8-10-19(4-2)23-22(16)14-18/h5-14H,3-4H2,1-2H3
InChIKeyNPUNTAPCCHZICS-UHFFFAOYSA-N
XLogP5.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylquinolin-6-ol
CID 19389936
CID 89228405
CID 89228405
6-ethylquinolin-2-amine
CID 58257790
ethane;2-ethyl-6-fluoroquinoline
CID 142538501
2-ethyl-7-fluoroquinoline
CID 118449779
4-(6-pentylquinolin-2-yl)phenol
CID 135525498
6-ethyl-2-methoxyquinoline
CID 134204287
2-(3-tert-butyl-5-ethylphenyl)quinoline
CID 153463392
(1R)-1-(2-ethylquinolin-7-yl)ethanol
CID 163555487
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
2-(4-propylphenyl)quinoline
CID 69251676

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline?
The IUPAC name of 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline (CID 165093087) is 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline.
What is the SMILES notation for 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline?
The canonical SMILES for 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline is CCc1ccc2nc(-c3ccc4ccc(CC)nc4c3)ccc2c1.
What is the InChIKey of 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline?
The InChIKey is NPUNTAPCCHZICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-3-15-5-11-20-17(13-15)9-12-21(24-20)18-7-6-16-8-10-19(4-2)23-22(16)14-18/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline?
2-ethyl-7-(6-ethylquinolin-2-yl)quinoline has a molecular weight of 312.42 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(6-ethylquinolin-2-yl)quinoline is sourced from PubChem (CID 165093087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).