3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine

C21H18N5+ — CID 157131092

IUPAC3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
SMILESNc1nc(-[n+]2ccccc2)c(-c2ccc3ncccc3c2)nc1C1CC1
InChIInChI=1S/C21H18N5/c22-20-18(14-6-7-14)24-19(21(25-20)26-11-2-1-3-12-26)16-8-9-17-15(13-16)5-4-10-23-17/h1-5,8-14H,6-7H2,(H2,22,25)/q+1
InChIKeyAUXFGLBDZIAGHZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.43
Rot. Bonds3

About 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine

3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 157131092) has the molecular formula C21H18N5+ and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
PubChem CID157131092
Molecular FormulaC21H18N5+
Molecular Weight340.41 g/mol
Exact Mass340.16
IUPAC Name3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
SMILESNc1nc(-[n+]2ccccc2)c(-c2ccc3ncccc3c2)nc1C1CC1
InChIInChI=1S/C21H18N5/c22-20-18(14-6-7-14)24-19(21(25-20)26-11-2-1-3-12-26)16-8-9-17-15(13-16)5-4-10-23-17/h1-5,8-14H,6-7H2,(H2,22,25)/q+1
InChIKeyAUXFGLBDZIAGHZ-UHFFFAOYSA-N
XLogP3.43
TPSA68.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63968686
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 154604645
5-(8-chloroquinolin-6-yl)-3-cyclohexyl-6-phenylpyrazin-2-amine
CID 137431688
1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 114367052
3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658269
7-(4-fluorophenyl)-8-quinolin-6-ylpyrido[3,4-b]pyrazin-5-amine
CID 146801526
5-quinolin-6-yl-6-(triazol-2-yl)pyrazin-2-amine
CID 137431097
6-quinolin-6-ylpyrazin-2-amine
CID 81222208
3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658025
2-propyl-4-quinolin-6-yl-1,3-thiazol-5-amine
CID 63967638
2-fluoro-6-quinolin-6-ylaniline
CID 107602869

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine (CID 157131092) is 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine is Nc1nc(-[n+]2ccccc2)c(-c2ccc3ncccc3c2)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is AUXFGLBDZIAGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N5/c22-20-18(14-6-7-14)24-19(21(25-20)26-11-2-1-3-12-26)16-8-9-17-15(13-16)5-4-10-23-17/h1-5,8-14H,6-7H2,(H2,22,25)/q+1.
What are the key properties of 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 340.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 157131092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).