3-ethylquinoline;quinoline

C20H18N2 — CID 174966721

IUPAC3-ethylquinoline;quinoline
SMILESCCc1cnc2ccccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C11H11N.C9H7N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-2-6-9-8(4-1)5-3-7-10-9/h3-8H,2H2,1H3;1-7H
InChIKeyRQAIIZQHVKHRHB-UHFFFAOYSA-N
MW286.38 g/mol
LogP5.03
Rot. Bonds1

About 3-ethylquinoline;quinoline

3-ethylquinoline;quinoline (PubChem CID 174966721) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-ethylquinoline;quinoline.

Molecular Properties

Compound Name3-ethylquinoline;quinoline
PubChem CID174966721
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name3-ethylquinoline;quinoline
SMILESCCc1cnc2ccccc2c1.c1ccc2ncccc2c1
InChIInChI=1S/C11H11N.C9H7N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-2-6-9-8(4-1)5-3-7-10-9/h3-8H,2H2,1H3;1-7H
InChIKeyRQAIIZQHVKHRHB-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethylbenzene;quinoline
CID 143401699
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
hydron;quinoline
CID 131854096
quinoline
CID 76974643
3,6-diethylquinoline
CID 82111628
quinoline;tetramethylsilane
CID 91292784
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 159709187
CID 159709187
CID 175273158
CID 175273158
platinum(2+);quinoline
CID 50910245

Frequently Asked Questions

What is the IUPAC name of 3-ethylquinoline;quinoline?
The IUPAC name of 3-ethylquinoline;quinoline (CID 174966721) is 3-ethylquinoline;quinoline.
What is the SMILES notation for 3-ethylquinoline;quinoline?
The canonical SMILES for 3-ethylquinoline;quinoline is CCc1cnc2ccccc2c1.c1ccc2ncccc2c1.
What is the InChIKey of 3-ethylquinoline;quinoline?
The InChIKey is RQAIIZQHVKHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C9H7N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9;1-2-6-9-8(4-1)5-3-7-10-9/h3-8H,2H2,1H3;1-7H.
What are the key properties of 3-ethylquinoline;quinoline?
3-ethylquinoline;quinoline has a molecular weight of 286.38 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylquinoline;quinoline is sourced from PubChem (CID 174966721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).