ethane;ethylbenzene;6-ethylquinoline

C21H27N — CID 143817758

IUPACethane;ethylbenzene;6-ethylquinoline
SMILESCC.CCc1ccc2ncccc2c1.CCc1ccccc1
InChIInChI=1S/C11H11N.C8H10.C2H6/c1-2-9-5-6-11-10(8-9)4-3-7-12-11;1-2-8-6-4-3-5-7-8;1-2/h3-8H,2H2,1H3;3-7H,2H2,1H3;1-2H3
InChIKeyWJBJRCQBCRVYEC-UHFFFAOYSA-N
MW293.45 g/mol
LogP6.07
Rot. Bonds2

About ethane;ethylbenzene;6-ethylquinoline

ethane;ethylbenzene;6-ethylquinoline (PubChem CID 143817758) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is ethane;ethylbenzene;6-ethylquinoline.

Molecular Properties

Compound Nameethane;ethylbenzene;6-ethylquinoline
PubChem CID143817758
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Nameethane;ethylbenzene;6-ethylquinoline
SMILESCC.CCc1ccc2ncccc2c1.CCc1ccccc1
InChIInChI=1S/C11H11N.C8H10.C2H6/c1-2-9-5-6-11-10(8-9)4-3-7-12-11;1-2-8-6-4-3-5-7-8;1-2/h3-8H,2H2,1H3;3-7H,2H2,1H3;1-2H3
InChIKeyWJBJRCQBCRVYEC-UHFFFAOYSA-N
XLogP6.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;ethylbenzene;quinoline
CID 143401699
3-ethylquinoline;quinoline
CID 174966721
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
6-(2-bromoethyl)quinoline
CID 68811984
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
CID 164904898
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
6-(2-chloroethyl)quinoline
CID 53404433
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541
ethane;2-ethylnaphthalene
CID 90684887
bromomethylbenzene;quinoline
CID 23497775
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;6-ethylquinoline?
The IUPAC name of ethane;ethylbenzene;6-ethylquinoline (CID 143817758) is ethane;ethylbenzene;6-ethylquinoline.
What is the SMILES notation for ethane;ethylbenzene;6-ethylquinoline?
The canonical SMILES for ethane;ethylbenzene;6-ethylquinoline is CC.CCc1ccc2ncccc2c1.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;6-ethylquinoline?
The InChIKey is WJBJRCQBCRVYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C8H10.C2H6/c1-2-9-5-6-11-10(8-9)4-3-7-12-11;1-2-8-6-4-3-5-7-8;1-2/h3-8H,2H2,1H3;3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethylbenzene;6-ethylquinoline?
ethane;ethylbenzene;6-ethylquinoline has a molecular weight of 293.45 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;6-ethylquinoline is sourced from PubChem (CID 143817758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).