5-ethylquinoline-8-carbonitrile

C12H10N2 — CID 146709556

IUPAC5-ethylquinoline-8-carbonitrile
SMILESCCc1ccc(C#N)c2ncccc12
InChIInChI=1S/C12H10N2/c1-2-9-5-6-10(8-13)12-11(9)4-3-7-14-12/h3-7H,2H2,1H3
InChIKeyRAJNAVADQVPYJW-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.67
Rot. Bonds1

About 5-ethylquinoline-8-carbonitrile

5-ethylquinoline-8-carbonitrile (PubChem CID 146709556) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-ethylquinoline-8-carbonitrile.

Molecular Properties

Compound Name5-ethylquinoline-8-carbonitrile
PubChem CID146709556
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name5-ethylquinoline-8-carbonitrile
SMILESCCc1ccc(C#N)c2ncccc12
InChIInChI=1S/C12H10N2/c1-2-9-5-6-10(8-13)12-11(9)4-3-7-14-12/h3-7H,2H2,1H3
InChIKeyRAJNAVADQVPYJW-UHFFFAOYSA-N
XLogP2.67
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methylquinoline-8-carbonitrile
CID 143801649
5-bromoquinoline-8-carbonitrile;methane;5-methylquinoline-8-carbonitrile
CID 158963770
5-(2-hydroxyethylamino)quinoline-8-carbonitrile
CID 14501167
8-chloroquinoline-5-carbonitrile
CID 119084135
5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007097
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
ethane;5-ethylquinoline
CID 143401043
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
5-ethyl-7-methyl-1,7-naphthyridin-8-one
CID 145148280
2,3,4-triethylbenzonitrile
CID 22750758
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976

Frequently Asked Questions

What is the IUPAC name of 5-ethylquinoline-8-carbonitrile?
The IUPAC name of 5-ethylquinoline-8-carbonitrile (CID 146709556) is 5-ethylquinoline-8-carbonitrile.
What is the SMILES notation for 5-ethylquinoline-8-carbonitrile?
The canonical SMILES for 5-ethylquinoline-8-carbonitrile is CCc1ccc(C#N)c2ncccc12.
What is the InChIKey of 5-ethylquinoline-8-carbonitrile?
The InChIKey is RAJNAVADQVPYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-9-5-6-10(8-13)12-11(9)4-3-7-14-12/h3-7H,2H2,1H3.
What are the key properties of 5-ethylquinoline-8-carbonitrile?
5-ethylquinoline-8-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylquinoline-8-carbonitrile is sourced from PubChem (CID 146709556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).