3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile

C21H15N5 — CID 137430158

IUPAC3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1cccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C21H15N5/c1-13-4-2-5-15(10-13)20-19(25-18(12-22)21(23)26-20)16-7-8-17-14(11-16)6-3-9-24-17/h2-11H,1H3,(H2,23,26)
InChIKeyFBHSIMZGXOZRIA-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.12
Rot. Bonds2

About 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile

3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile (PubChem CID 137430158) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
PubChem CID137430158
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1cccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C21H15N5/c1-13-4-2-5-15(10-13)20-19(25-18(12-22)21(23)26-20)16-7-8-17-14(11-16)6-3-9-24-17/h2-11H,1H3,(H2,23,26)
InChIKeyFBHSIMZGXOZRIA-UHFFFAOYSA-N
XLogP4.12
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile (CID 137430158) is 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile is Cc1cccc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c1.
What is the InChIKey of 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The InChIKey is FBHSIMZGXOZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c1-13-4-2-5-15(10-13)20-19(25-18(12-22)21(23)26-20)16-7-8-17-14(11-16)6-3-9-24-17/h2-11H,1H3,(H2,23,26).
What are the key properties of 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile has a molecular weight of 337.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 137430158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).