3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile

C15H10N4 — CID 29026101

IUPAC3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile
SMILESCc1ccc2c(-c3nccnc3C#N)cccc2n1
InChIInChI=1S/C15H10N4/c1-10-5-6-11-12(3-2-4-13(11)19-10)15-14(9-16)17-7-8-18-15/h2-8H,1H3
InChIKeyPKWWKUBPIDUDRJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.87
Rot. Bonds1

About 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile

3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile (PubChem CID 29026101) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile
PubChem CID29026101
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile
SMILESCc1ccc2c(-c3nccnc3C#N)cccc2n1
InChIInChI=1S/C15H10N4/c1-10-5-6-11-12(3-2-4-13(11)19-10)15-14(9-16)17-7-8-18-15/h2-8H,1H3
InChIKeyPKWWKUBPIDUDRJ-UHFFFAOYSA-N
XLogP2.87
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile (CID 29026101) is 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile is Cc1ccc2c(-c3nccnc3C#N)cccc2n1.
What is the InChIKey of 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile?
The InChIKey is PKWWKUBPIDUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c1-10-5-6-11-12(3-2-4-13(11)19-10)15-14(9-16)17-7-8-18-15/h2-8H,1H3.
What are the key properties of 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile?
3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 29026101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).