1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide

C21H24N6O2 — CID 118948253

IUPAC1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCCC1C(Nc2cnc(C#N)cn2)c2cc(C(N)=O)ccc2N(C(C)=O)C1C
InChIInChI=1S/C21H24N6O2/c1-4-5-16-12(2)27(13(3)28)18-7-6-14(21(23)29)8-17(18)20(16)26-19-11-24-15(9-22)10-25-19/h6-8,10-12,16,20H,4-5H2,1-3H3,(H2,23,29)(H,25,26)
InChIKeyYXXNJQNCDROKDY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.77
Rot. Bonds5

About 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 118948253) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID118948253
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCCCC1C(Nc2cnc(C#N)cn2)c2cc(C(N)=O)ccc2N(C(C)=O)C1C
InChIInChI=1S/C21H24N6O2/c1-4-5-16-12(2)27(13(3)28)18-7-6-14(21(23)29)8-17(18)20(16)26-19-11-24-15(9-22)10-25-19/h6-8,10-12,16,20H,4-5H2,1-3H3,(H2,23,29)(H,25,26)
InChIKeyYXXNJQNCDROKDY-UHFFFAOYSA-N
XLogP2.77
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 118948253) is 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide is CCCC1C(Nc2cnc(C#N)cn2)c2cc(C(N)=O)ccc2N(C(C)=O)C1C.
What is the InChIKey of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is YXXNJQNCDROKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-4-5-16-12(2)27(13(3)28)18-7-6-14(21(23)29)8-17(18)20(16)26-19-11-24-15(9-22)10-25-19/h6-8,10-12,16,20H,4-5H2,1-3H3,(H2,23,29)(H,25,26).
What are the key properties of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?
1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 118948253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).