3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine

C17H18N4 — CID 81230913

IUPAC3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H18N4/c1-3-8-19-17-16(18-9-10-20-17)14-6-7-15-13(11-14)5-4-12(2)21-15/h4-7,9-11H,3,8H2,1-2H3,(H,19,20)
InChIKeyVXMVURIRGGJKGL-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.82
Rot. Bonds4

About 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine

3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine (PubChem CID 81230913) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine
PubChem CID81230913
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H18N4/c1-3-8-19-17-16(18-9-10-20-17)14-6-7-15-13(11-14)5-4-12(2)21-15/h4-7,9-11H,3,8H2,1-2H3,(H,19,20)
InChIKeyVXMVURIRGGJKGL-UHFFFAOYSA-N
XLogP3.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine (CID 81230913) is 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1ccc2nc(C)ccc2c1.
What is the InChIKey of 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine?
The InChIKey is VXMVURIRGGJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-8-19-17-16(18-9-10-20-17)14-6-7-15-13(11-14)5-4-12(2)21-15/h4-7,9-11H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine?
3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 81230913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).