3-ethenylquinoline-8-carboxamide

C12H10N2O — CID 25208747

IUPAC3-ethenylquinoline-8-carboxamide
SMILESC=Cc1cnc2c(C(N)=O)cccc2c1
InChIInChI=1S/C12H10N2O/c1-2-8-6-9-4-3-5-10(12(13)15)11(9)14-7-8/h2-7H,1H2,(H2,13,15)
InChIKeyCODIVOZOEAWHDX-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.98
Rot. Bonds2

About 3-ethenylquinoline-8-carboxamide

3-ethenylquinoline-8-carboxamide (PubChem CID 25208747) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-ethenylquinoline-8-carboxamide.

Molecular Properties

Compound Name3-ethenylquinoline-8-carboxamide
PubChem CID25208747
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3-ethenylquinoline-8-carboxamide
SMILESC=Cc1cnc2c(C(N)=O)cccc2c1
InChIInChI=1S/C12H10N2O/c1-2-8-6-9-4-3-5-10(12(13)15)11(9)14-7-8/h2-7H,1H2,(H2,13,15)
InChIKeyCODIVOZOEAWHDX-UHFFFAOYSA-N
XLogP1.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylquinoline-8-carboxamide?
The IUPAC name of 3-ethenylquinoline-8-carboxamide (CID 25208747) is 3-ethenylquinoline-8-carboxamide.
What is the SMILES notation for 3-ethenylquinoline-8-carboxamide?
The canonical SMILES for 3-ethenylquinoline-8-carboxamide is C=Cc1cnc2c(C(N)=O)cccc2c1.
What is the InChIKey of 3-ethenylquinoline-8-carboxamide?
The InChIKey is CODIVOZOEAWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-8-6-9-4-3-5-10(12(13)15)11(9)14-7-8/h2-7H,1H2,(H2,13,15).
What are the key properties of 3-ethenylquinoline-8-carboxamide?
3-ethenylquinoline-8-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylquinoline-8-carboxamide is sourced from PubChem (CID 25208747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).