2-ethylnaphthalene;3-methylquinoline

C22H21N — CID 143066870

IUPAC2-ethylnaphthalene;3-methylquinoline
SMILESCCc1ccc2ccccc2c1.Cc1cnc2ccccc2c1
InChIInChI=1S/C12H12.C10H9N/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-6-9-4-2-3-5-10(9)11-7-8/h3-9H,2H2,1H3;2-7H,1H3
InChIKeyMNKBHERLVBYTDG-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.95
Rot. Bonds1

About 2-ethylnaphthalene;3-methylquinoline

2-ethylnaphthalene;3-methylquinoline (PubChem CID 143066870) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-ethylnaphthalene;3-methylquinoline.

Molecular Properties

Compound Name2-ethylnaphthalene;3-methylquinoline
PubChem CID143066870
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-ethylnaphthalene;3-methylquinoline
SMILESCCc1ccc2ccccc2c1.Cc1cnc2ccccc2c1
InChIInChI=1S/C12H12.C10H9N/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-6-9-4-2-3-5-10(9)11-7-8/h3-9H,2H2,1H3;2-7H,1H3
InChIKeyMNKBHERLVBYTDG-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylquinoline;pentane
CID 145470784
ethane;2-ethylnaphthalene
CID 90684887
ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
CID 143631161
3-ethylquinoline;quinoline
CID 174966721
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653
3,6-diethylquinoline
CID 82111628
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
3-[1-(4-ethylphenyl)-3,5-dimethylpyrazol-4-yl]quinoline
CID 173199509
2-(naphthalen-2-ylmethyl)quinoxaline
CID 158138489

Frequently Asked Questions

What is the IUPAC name of 2-ethylnaphthalene;3-methylquinoline?
The IUPAC name of 2-ethylnaphthalene;3-methylquinoline (CID 143066870) is 2-ethylnaphthalene;3-methylquinoline.
What is the SMILES notation for 2-ethylnaphthalene;3-methylquinoline?
The canonical SMILES for 2-ethylnaphthalene;3-methylquinoline is CCc1ccc2ccccc2c1.Cc1cnc2ccccc2c1.
What is the InChIKey of 2-ethylnaphthalene;3-methylquinoline?
The InChIKey is MNKBHERLVBYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C10H9N/c1-2-10-7-8-11-5-3-4-6-12(11)9-10;1-8-6-9-4-2-3-5-10(9)11-7-8/h3-9H,2H2,1H3;2-7H,1H3.
What are the key properties of 2-ethylnaphthalene;3-methylquinoline?
2-ethylnaphthalene;3-methylquinoline has a molecular weight of 299.42 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylnaphthalene;3-methylquinoline is sourced from PubChem (CID 143066870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).