2-chloro-5-ethylquinoline;ethane

C13H16ClN — CID 143687373

IUPAC2-chloro-5-ethylquinoline;ethane
SMILESCC.CCc1cccc2nc(Cl)ccc12
InChIInChI=1S/C11H10ClN.C2H6/c1-2-8-4-3-5-10-9(8)6-7-11(12)13-10;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyREHZCZSVTBHIOU-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.48
Rot. Bonds1

About 2-chloro-5-ethylquinoline;ethane

2-chloro-5-ethylquinoline;ethane (PubChem CID 143687373) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-chloro-5-ethylquinoline;ethane.

Molecular Properties

Compound Name2-chloro-5-ethylquinoline;ethane
PubChem CID143687373
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name2-chloro-5-ethylquinoline;ethane
SMILESCC.CCc1cccc2nc(Cl)ccc12
InChIInChI=1S/C11H10ClN.C2H6/c1-2-8-4-3-5-10-9(8)6-7-11(12)13-10;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyREHZCZSVTBHIOU-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-ethylquinolin-2-amine
CID 59551845
1-(2-chloroquinolin-5-yl)-N,N-dimethylmethanamine
CID 118658353
2-chloro-5-[dideuterio(methoxy)methyl]quinoline
CID 118689159
2,5-dichloroquinoline
CID 676552
(2-chloroquinolin-5-yl)-trimethylsilane
CID 119084079
ethane;5-ethylquinoline
CID 143401043
2-chloroquinoline-5-sulfonamide
CID 154295379
2-chloro-5-prop-1-en-2-ylquinoline
CID 119084095
N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 4667810
(3S)-3-amino-1-[(2-chloroquinolin-5-yl)methyl]pyrrolidin-2-one
CID 20680734
3-amino-1-[(2-chloroquinolin-5-yl)methyl]pyrrolidin-2-one
CID 18176326
5-ethylcinnoline
CID 147224784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethylquinoline;ethane?
The IUPAC name of 2-chloro-5-ethylquinoline;ethane (CID 143687373) is 2-chloro-5-ethylquinoline;ethane.
What is the SMILES notation for 2-chloro-5-ethylquinoline;ethane?
The canonical SMILES for 2-chloro-5-ethylquinoline;ethane is CC.CCc1cccc2nc(Cl)ccc12.
What is the InChIKey of 2-chloro-5-ethylquinoline;ethane?
The InChIKey is REHZCZSVTBHIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN.C2H6/c1-2-8-4-3-5-10-9(8)6-7-11(12)13-10;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of 2-chloro-5-ethylquinoline;ethane?
2-chloro-5-ethylquinoline;ethane has a molecular weight of 221.73 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethylquinoline;ethane is sourced from PubChem (CID 143687373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).