6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide

C17H16N4O — CID 175792326

IUPAC6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide
SMILESCCc1cc(C(=O)NCc2cnccn2)c2ncccc2c1
InChIInChI=1S/C17H16N4O/c1-2-12-8-13-4-3-5-20-16(13)15(9-12)17(22)21-11-14-10-18-6-7-19-14/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyHULIRAVLPPPKNU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.52
Rot. Bonds4

About 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide

6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide (PubChem CID 175792326) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide
PubChem CID175792326
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide
SMILESCCc1cc(C(=O)NCc2cnccn2)c2ncccc2c1
InChIInChI=1S/C17H16N4O/c1-2-12-8-13-4-3-5-20-16(13)15(9-12)17(22)21-11-14-10-18-6-7-19-14/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeyHULIRAVLPPPKNU-UHFFFAOYSA-N
XLogP2.52
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-ylmethyl)-6-ethylquinoline-8-carboxamide
CID 175792257
6-ethyl-N-(2-hydroxyethyl)-N-phenylquinoline-8-carboxamide
CID 175792354
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
CID 87025093
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 110476152
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
4-amino-N-(pyrazin-2-ylmethyl)benzamide
CID 110476278
2-oxo-N-(pyrazin-2-ylmethyl)acetamide
CID 90048439
8-bromo-6-ethylquinoline
CID 19381206
6-chloro-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline-8-carboxamide
CID 56781980

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide?
The IUPAC name of 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide (CID 175792326) is 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide.
What is the SMILES notation for 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide?
The canonical SMILES for 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide is CCc1cc(C(=O)NCc2cnccn2)c2ncccc2c1.
What is the InChIKey of 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide?
The InChIKey is HULIRAVLPPPKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-12-8-13-4-3-5-20-16(13)15(9-12)17(22)21-11-14-10-18-6-7-19-14/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide?
6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(pyrazin-2-ylmethyl)quinoline-8-carboxamide is sourced from PubChem (CID 175792326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).