7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide

C17H16N4O2 — CID 155551494

IUPAC7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)c3cnccn3)cnc2c1
InChIInChI=1S/C17H16N4O2/c1-11(16-10-18-5-6-19-16)21-17(22)13-7-12-3-4-14(23-2)8-15(12)20-9-13/h3-11H,1-2H3,(H,21,22)
InChIKeyFDHNAGICUHZGIS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.52
Rot. Bonds4

About 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide

7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide (PubChem CID 155551494) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide
PubChem CID155551494
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC(C)c3cnccn3)cnc2c1
InChIInChI=1S/C17H16N4O2/c1-11(16-10-18-5-6-19-16)21-17(22)13-7-12-3-4-14(23-2)8-15(12)20-9-13/h3-11H,1-2H3,(H,21,22)
InChIKeyFDHNAGICUHZGIS-UHFFFAOYSA-N
XLogP2.52
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide (CID 155551494) is 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC(C)c3cnccn3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide?
The InChIKey is FDHNAGICUHZGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11(16-10-18-5-6-19-16)21-17(22)13-7-12-3-4-14(23-2)8-15(12)20-9-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide?
7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-pyrazin-2-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 155551494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).